N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

C224H156N20O6 — CID 164986125

IUPACN-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESC1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8nc9ccccc9o8)cc7)cc6)cc5)cc4)cc3)OC2C=C1.C1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5)cc4)cc3)OC2C=C1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1
InChIInChI=1S/C62H42N8.C56H38N4O2.C56H40N4O2.C50H36N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56;1-3-11-45(12-4-1)59(49-35-27-43(28-36-49)55-57-51-15-7-9-17-53(51)61-55)47-31-23-41(24-32-47)39-19-21-40(22-20-39)42-25-33-48(34-26-42)60(46-13-5-2-6-14-46)50-37-29-44(30-38-50)56-58-52-16-8-10-18-54(52)62-56;1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-42H;1-38H;1-38,51,53H;1-34,45,47H
InChIKeyGEKQVMJTPQKXNN-UHFFFAOYSA-N
MW3223.85 g/mol
LogP58.46
Rot. Bonds39

About N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline

N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 164986125) has the molecular formula C224H156N20O6 and a molecular weight of 3223.85 g/mol. Its IUPAC name is N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID164986125
Molecular FormulaC224H156N20O6
Molecular Weight3223.85 g/mol
Exact Mass3221.25
IUPAC NameN-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
SMILESC1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8nc9ccccc9o8)cc7)cc6)cc5)cc4)cc3)OC2C=C1.C1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5)cc4)cc3)OC2C=C1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1
InChIInChI=1S/C62H42N8.C56H38N4O2.C56H40N4O2.C50H36N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56;1-3-11-45(12-4-1)59(49-35-27-43(28-36-49)55-57-51-15-7-9-17-53(51)61-55)47-31-23-41(24-32-47)39-19-21-40(22-20-39)42-25-33-48(34-26-42)60(46-13-5-2-6-14-46)50-37-29-44(30-38-50)56-58-52-16-8-10-18-54(52)62-56;1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-42H;1-38H;1-38,51,53H;1-34,45,47H
InChIKeyGEKQVMJTPQKXNN-UHFFFAOYSA-N
XLogP58.46
TPSA234.64 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003223.85
LogP ≤ 558.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline (CID 164986125) is N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is C1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8nc9ccccc9o8)cc7)cc6)cc5)cc4)cc3)OC2C=C1.C1=CC2N=C(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8ccccc8o7)cc6)cc5)cc4)cc3)OC2C=C1.c1ccc(N(c2ccc(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)cc4)c3)cc2)c2ccc(-c3nc4ccccc4o3)cc2)cc1.c1ccc2c(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(-n7nc8ccccc8n7)cc6)c6cccc7ccccc67)cc5)cc4)cc3)c3ccc(-n4nc5ccccc5n4)cc3)cccc2c1.
What is the InChIKey of N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is GEKQVMJTPQKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N8.C56H38N4O2.C56H40N4O2.C50H36N4O2/c1-3-15-55-47(11-1)13-9-21-61(55)67(51-35-39-53(40-36-51)69-63-57-17-5-6-18-58(57)64-69)49-31-27-45(28-32-49)43-23-25-44(26-24-43)46-29-33-50(34-30-46)68(62-22-10-14-48-12-2-4-16-56(48)62)52-37-41-54(42-38-52)70-65-59-19-7-8-20-60(59)66-70;1-3-14-45(15-4-1)59(49-34-26-41(27-35-49)55-57-51-18-7-9-20-53(51)61-55)47-30-22-39(23-31-47)43-12-11-13-44(38-43)40-24-32-48(33-25-40)60(46-16-5-2-6-17-46)50-36-28-42(29-37-50)56-58-52-19-8-10-21-54(52)62-56;1-3-11-45(12-4-1)59(49-35-27-43(28-36-49)55-57-51-15-7-9-17-53(51)61-55)47-31-23-41(24-32-47)39-19-21-40(22-20-39)42-25-33-48(34-26-42)60(46-13-5-2-6-14-46)50-37-29-44(30-38-50)56-58-52-16-8-10-18-54(52)62-56;1-3-11-39(12-4-1)53(43-31-23-37(24-32-43)49-51-45-15-7-9-17-47(45)55-49)41-27-19-35(20-28-41)36-21-29-42(30-22-36)54(40-13-5-2-6-14-40)44-33-25-38(26-34-44)50-52-46-16-8-10-18-48(46)56-50/h1-42H;1-38H;1-38,51,53H;1-34,45,47H.
What are the key properties of N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline?
N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 3223.85 g/mol, XLogP of 58.46, 39 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 164986125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).