4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

C516H348Br3Cl3F3I3N24O12 — CID 159170067

IUPAC4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESBrc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Brc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Brc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Clc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Clc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Clc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Fc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Fc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Ic1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Ic1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Ic1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12
InChIInChI=1S/3C43H29BrN2O.3C43H29ClN2O.3C43H29FN2O.3C43H29IN2O/c44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35/h12*1-29H
InChIKeyKLONOXNKCOEZGS-UHFFFAOYSA-N
MW7860.39 g/mol
LogP150.07
Rot. Bonds84

About 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline

4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 159170067) has the molecular formula C516H348Br3Cl3F3I3N24O12 and a molecular weight of 7860.39 g/mol. Its IUPAC name is 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
PubChem CID159170067
Molecular FormulaC516H348Br3Cl3F3I3N24O12
Molecular Weight7860.39 g/mol
Exact Mass7850.11
IUPAC Name4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline
SMILESBrc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Brc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Brc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Clc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Clc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Clc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Fc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Fc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Ic1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Ic1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Ic1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12
InChIInChI=1S/3C43H29BrN2O.3C43H29ClN2O.3C43H29FN2O.3C43H29IN2O/c44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35/h12*1-29H
InChIKeyKLONOXNKCOEZGS-UHFFFAOYSA-N
XLogP150.07
TPSA351.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds84
Heavy Atoms564
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007860.39
LogP ≤ 5150.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline with MolForge

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What is the IUPAC name of 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline (CID 159170067) is 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is Brc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Brc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Brc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Clc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Clc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Clc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Fc1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Fc1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Fc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.Ic1ccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc2c1.Ic1ccc2oc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)nc2c1.Ic1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)oc12.
What is the InChIKey of 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
The InChIKey is KLONOXNKCOEZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H29BrN2O.3C43H29ClN2O.3C43H29FN2O.3C43H29IN2O/c44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-40-20-11-21-41-42(40)47-43(45-41)32-24-22-30(23-25-32)36-16-7-9-18-38(36)39-19-10-8-17-37(39)31-26-28-35(29-27-31)46(33-12-3-1-4-13-33)34-14-5-2-6-15-34;44-33-25-28-42-41(29-33)45-43(47-42)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35;44-33-25-28-41-42(29-33)47-43(45-41)32-21-19-30(20-22-32)37-15-7-9-17-39(37)40-18-10-8-16-38(40)31-23-26-36(27-24-31)46(34-11-3-1-4-12-34)35-13-5-2-6-14-35/h12*1-29H.
What are the key properties of 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline?
4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 7860.39 g/mol, XLogP of 150.07, 84 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[4-(5-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-bromo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-chloro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-fluoro-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(5-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(6-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline;4-[2-[2-[4-(7-iodo-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 159170067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).