N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline

C382H266ClF3N30O20 — CID 161257920

IUPACN-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Clc1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Fc1cc(F)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)c(F)c1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)nc2c1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5CCCCC5)cc4)cc3)nc2c1
InChIInChI=1S/3C44H29N3O2.C42H35N3O2.C38H31N3O2.C38H25N3O2.C36H29N3O2.C32H20ClN3O2.C32H18F3N3O2.C32H21N3O2/c1-3-11-30(12-4-1)34-27-35(31-13-5-2-6-14-31)29-38(28-34)47(36-23-19-32(20-24-36)43-45-39-15-7-9-17-41(39)48-43)37-25-21-33(22-26-37)44-46-40-16-8-10-18-42(40)49-44;1-3-11-30(12-4-1)37-28-27-36(29-38(37)31-13-5-2-6-14-31)47(34-23-19-32(20-24-34)43-45-39-15-7-9-17-41(39)48-43)35-25-21-33(22-26-35)44-46-40-16-8-10-18-42(40)49-44;1-2-8-30(9-3-1)31-14-16-32(17-15-31)33-18-24-36(25-19-33)47(37-26-20-34(21-27-37)43-45-39-10-4-6-12-41(39)48-43)38-28-22-35(23-29-38)44-46-40-11-5-7-13-42(40)49-44;1-3-7-38-36(5-1)43-40(46-38)30-9-15-33(16-10-30)45(34-17-11-31(12-18-34)41-44-37-6-2-4-8-39(37)47-41)35-19-13-32(14-20-35)42-24-27-21-28(25-42)23-29(22-27)26-42;2*1-2-8-26(9-3-1)27-14-20-30(21-15-27)41(31-22-16-28(17-23-31)37-39-33-10-4-6-12-35(33)42-37)32-24-18-29(19-25-32)38-40-34-11-5-7-13-36(34)43-38;1-36(2,3)26-16-22-29(23-17-26)39(27-18-12-24(13-19-27)34-37-30-8-4-6-10-32(30)40-34)28-20-14-25(15-21-28)35-38-31-9-5-7-11-33(31)41-35;33-23-13-19-26(20-14-23)36(24-15-9-21(10-16-24)31-34-27-5-1-3-7-29(27)37-31)25-17-11-22(12-18-25)32-35-28-6-2-4-8-30(28)38-32;33-21-17-24(34)30(25(35)18-21)38(22-13-9-19(10-14-22)31-36-26-5-1-3-7-28(26)39-31)23-15-11-20(12-16-23)32-37-27-6-2-4-8-29(27)40-32;1-2-8-24(9-3-1)35(25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)36-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)37-32/h3*1-29H;1-20,27-29H,21-26H2;4-7,10-26H,1-3,8-9H2;1-25H;4-23H,1-3H3;1-20H;1-18H;1-21H
InChIKeyVCECQVUMOSDLBQ-UHFFFAOYSA-N
MW5688.97 g/mol
LogP106.28
Rot. Bonds59

About N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline

N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline (PubChem CID 161257920) has the molecular formula C382H266ClF3N30O20 and a molecular weight of 5688.97 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline
PubChem CID161257920
Molecular FormulaC382H266ClF3N30O20
Molecular Weight5688.97 g/mol
Exact Mass5684.04
IUPAC NameN-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Clc1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Fc1cc(F)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)c(F)c1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)nc2c1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5CCCCC5)cc4)cc3)nc2c1
InChIInChI=1S/3C44H29N3O2.C42H35N3O2.C38H31N3O2.C38H25N3O2.C36H29N3O2.C32H20ClN3O2.C32H18F3N3O2.C32H21N3O2/c1-3-11-30(12-4-1)34-27-35(31-13-5-2-6-14-31)29-38(28-34)47(36-23-19-32(20-24-36)43-45-39-15-7-9-17-41(39)48-43)37-25-21-33(22-26-37)44-46-40-16-8-10-18-42(40)49-44;1-3-11-30(12-4-1)37-28-27-36(29-38(37)31-13-5-2-6-14-31)47(34-23-19-32(20-24-34)43-45-39-15-7-9-17-41(39)48-43)35-25-21-33(22-26-35)44-46-40-16-8-10-18-42(40)49-44;1-2-8-30(9-3-1)31-14-16-32(17-15-31)33-18-24-36(25-19-33)47(37-26-20-34(21-27-37)43-45-39-10-4-6-12-41(39)48-43)38-28-22-35(23-29-38)44-46-40-11-5-7-13-42(40)49-44;1-3-7-38-36(5-1)43-40(46-38)30-9-15-33(16-10-30)45(34-17-11-31(12-18-34)41-44-37-6-2-4-8-39(37)47-41)35-19-13-32(14-20-35)42-24-27-21-28(25-42)23-29(22-27)26-42;2*1-2-8-26(9-3-1)27-14-20-30(21-15-27)41(31-22-16-28(17-23-31)37-39-33-10-4-6-12-35(33)42-37)32-24-18-29(19-25-32)38-40-34-11-5-7-13-36(34)43-38;1-36(2,3)26-16-22-29(23-17-26)39(27-18-12-24(13-19-27)34-37-30-8-4-6-10-32(30)40-34)28-20-14-25(15-21-28)35-38-31-9-5-7-11-33(31)41-35;33-23-13-19-26(20-14-23)36(24-15-9-21(10-16-24)31-34-27-5-1-3-7-29(27)37-31)25-17-11-22(12-18-25)32-35-28-6-2-4-8-30(28)38-32;33-21-17-24(34)30(25(35)18-21)38(22-13-9-19(10-14-22)31-36-26-5-1-3-7-28(26)39-31)23-15-11-20(12-16-23)32-37-27-6-2-4-8-29(27)40-32;1-2-8-24(9-3-1)35(25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)36-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)37-32/h3*1-29H;1-20,27-29H,21-26H2;4-7,10-26H,1-3,8-9H2;1-25H;4-23H,1-3H3;1-20H;1-18H;1-21H
InChIKeyVCECQVUMOSDLBQ-UHFFFAOYSA-N
XLogP106.28
TPSA553.00 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds59
Heavy Atoms436
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005688.97
LogP ≤ 5106.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline (CID 161257920) is N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline is CC(C)(C)c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Clc1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.Fc1cc(F)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)c(F)c1.c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(-c5nc6ccccc6o5)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)cc2-c2ccccc2)cc1.c1ccc(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc3)nc2c1.c1ccc2oc(-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4ccc(C5CCCCC5)cc4)cc3)nc2c1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline?
The InChIKey is VCECQVUMOSDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C44H29N3O2.C42H35N3O2.C38H31N3O2.C38H25N3O2.C36H29N3O2.C32H20ClN3O2.C32H18F3N3O2.C32H21N3O2/c1-3-11-30(12-4-1)34-27-35(31-13-5-2-6-14-31)29-38(28-34)47(36-23-19-32(20-24-36)43-45-39-15-7-9-17-41(39)48-43)37-25-21-33(22-26-37)44-46-40-16-8-10-18-42(40)49-44;1-3-11-30(12-4-1)37-28-27-36(29-38(37)31-13-5-2-6-14-31)47(34-23-19-32(20-24-34)43-45-39-15-7-9-17-41(39)48-43)35-25-21-33(22-26-35)44-46-40-16-8-10-18-42(40)49-44;1-2-8-30(9-3-1)31-14-16-32(17-15-31)33-18-24-36(25-19-33)47(37-26-20-34(21-27-37)43-45-39-10-4-6-12-41(39)48-43)38-28-22-35(23-29-38)44-46-40-11-5-7-13-42(40)49-44;1-3-7-38-36(5-1)43-40(46-38)30-9-15-33(16-10-30)45(34-17-11-31(12-18-34)41-44-37-6-2-4-8-39(37)47-41)35-19-13-32(14-20-35)42-24-27-21-28(25-42)23-29(22-27)26-42;2*1-2-8-26(9-3-1)27-14-20-30(21-15-27)41(31-22-16-28(17-23-31)37-39-33-10-4-6-12-35(33)42-37)32-24-18-29(19-25-32)38-40-34-11-5-7-13-36(34)43-38;1-36(2,3)26-16-22-29(23-17-26)39(27-18-12-24(13-19-27)34-37-30-8-4-6-10-32(30)40-34)28-20-14-25(15-21-28)35-38-31-9-5-7-11-33(31)41-35;33-23-13-19-26(20-14-23)36(24-15-9-21(10-16-24)31-34-27-5-1-3-7-29(27)37-31)25-17-11-22(12-18-25)32-35-28-6-2-4-8-30(28)38-32;33-21-17-24(34)30(25(35)18-21)38(22-13-9-19(10-14-22)31-36-26-5-1-3-7-28(26)39-31)23-15-11-20(12-16-23)32-37-27-6-2-4-8-29(27)40-32;1-2-8-24(9-3-1)35(25-18-14-22(15-19-25)31-33-27-10-4-6-12-29(27)36-31)26-20-16-23(17-21-26)32-34-28-11-5-7-13-30(28)37-32/h3*1-29H;1-20,27-29H,21-26H2;4-7,10-26H,1-3,8-9H2;1-25H;4-23H,1-3H3;1-20H;1-18H;1-21H.
What are the key properties of N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline?
N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline has a molecular weight of 5688.97 g/mol, XLogP of 106.28, 59 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-tert-butylphenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-chlorophenyl)aniline;4-(1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-cyclohexylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,4-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-diphenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-2,4,6-trifluoroaniline is sourced from PubChem (CID 161257920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).