5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

C90H61N5 — CID 177279545

IUPAC5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2cc(N(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C90H61N5/c1-5-29-62(30-6-1)71-37-13-21-45-81(71)91(66-53-55-73(64-33-9-3-10-34-64)89(60-66)94-85-49-25-17-41-77(85)78-42-18-26-50-86(78)94)68-57-69(59-70(58-68)93-83-47-23-15-39-75(83)76-40-16-24-48-84(76)93)92(82-46-22-14-38-72(82)63-31-7-2-8-32-63)67-54-56-74(65-35-11-4-12-36-65)90(61-67)95-87-51-27-19-43-79(87)80-44-20-28-52-88(80)95/h1-61H
InChIKeyBZQQEBYVYZEBTL-UHFFFAOYSA-N
MW1212.51 g/mol
LogP24.59
Rot. Bonds13

About 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine

5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 177279545) has the molecular formula C90H61N5 and a molecular weight of 1212.51 g/mol. Its IUPAC name is 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
PubChem CID177279545
Molecular FormulaC90H61N5
Molecular Weight1212.51 g/mol
Exact Mass1211.49
IUPAC Name5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(-c2ccccc2N(c2cc(N(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C90H61N5/c1-5-29-62(30-6-1)71-37-13-21-45-81(71)91(66-53-55-73(64-33-9-3-10-34-64)89(60-66)94-85-49-25-17-41-77(85)78-42-18-26-50-86(78)94)68-57-69(59-70(58-68)93-83-47-23-15-39-75(83)76-40-16-24-48-84(76)93)92(82-46-22-14-38-72(82)63-31-7-2-8-32-63)67-54-56-74(65-35-11-4-12-36-65)90(61-67)95-87-51-27-19-43-79(87)80-44-20-28-52-88(80)95/h1-61H
InChIKeyBZQQEBYVYZEBTL-UHFFFAOYSA-N
XLogP24.59
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.51
LogP ≤ 524.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 154965993
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine (CID 177279545) is 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is c1ccc(-c2ccccc2N(c2cc(N(c3ccc(-c4ccccc4)c(-n4c5ccccc5c5ccccc54)c3)c3ccccc3-c3ccccc3)cc(-n3c4ccccc4c4ccccc43)c2)c2ccc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
The InChIKey is BZQQEBYVYZEBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H61N5/c1-5-29-62(30-6-1)71-37-13-21-45-81(71)91(66-53-55-73(64-33-9-3-10-34-64)89(60-66)94-85-49-25-17-41-77(85)78-42-18-26-50-86(78)94)68-57-69(59-70(58-68)93-83-47-23-15-39-75(83)76-40-16-24-48-84(76)93)92(82-46-22-14-38-72(82)63-31-7-2-8-32-63)67-54-56-74(65-35-11-4-12-36-65)90(61-67)95-87-51-27-19-43-79(87)80-44-20-28-52-88(80)95/h1-61H.
What are the key properties of 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine?
5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 1212.51 g/mol, XLogP of 24.59, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 177279545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).