N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine

C46H33N3 — CID 130279544

IUPACN-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
SMILESc1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C46H33N3/c1-4-14-35(15-5-1)47-36-28-24-33(25-29-36)34-26-30-39(31-27-34)48(37-16-6-2-7-17-37)45-32-43-41-21-12-13-23-44(41)49(38-18-8-3-9-19-38)46(43)42-22-11-10-20-40(42)45/h1-32,47H
InChIKeyWZAXSCNBXCUICN-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.82
Rot. Bonds7

About N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine

N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine (PubChem CID 130279544) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine.

Molecular Properties

Compound NameN-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
PubChem CID130279544
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC NameN-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
SMILESc1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C46H33N3/c1-4-14-35(15-5-1)47-36-28-24-33(25-29-36)34-26-30-39(31-27-34)48(37-16-6-2-7-17-37)45-32-43-41-21-12-13-23-44(41)49(38-18-8-3-9-19-38)46(43)42-22-11-10-20-40(42)45/h1-32,47H
InChIKeyWZAXSCNBXCUICN-UHFFFAOYSA-N
XLogP12.82
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
CID 146296558
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 164801794
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
3-bromo-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline;2-(3,5-dibromophenyl)-9-phenylcarbazole;N,4-diphenylaniline
CID 161259877
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-4-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-5-amine
CID 159554743
9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 142745530
9-[4-(4-bromophenyl)phenyl]-10-phenylanthracene;N-phenyl-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159237953
12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578520
N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
N-[3-[4-(3-anilinophenyl)phenyl]phenyl]-9-phenyl-N-(3-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177098641

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine?
The IUPAC name of N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine (CID 130279544) is N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine.
What is the SMILES notation for N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine?
The canonical SMILES for N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine is c1ccc(Nc2ccc(-c3ccc(N(c4ccccc4)c4cc5c6ccccc6n(-c6ccccc6)c5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine?
The InChIKey is WZAXSCNBXCUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-4-14-35(15-5-1)47-36-28-24-33(25-29-36)34-26-30-39(31-27-34)48(37-16-6-2-7-17-37)45-32-43-41-21-12-13-23-44(41)49(38-18-8-3-9-19-38)46(43)42-22-11-10-20-40(42)45/h1-32,47H.
What are the key properties of N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine?
N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine has a molecular weight of 627.79 g/mol, XLogP of 12.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine is sourced from PubChem (CID 130279544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).