N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine

C46H32N2 — CID 174307062

IUPACN,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c43)cc2)cc1
InChIInChI=1S/C46H32N2/c1-5-15-33(16-6-1)35-25-28-40(29-26-35)48-43-31-36(34-17-7-2-8-18-34)27-30-42(43)45-44(32-37-19-13-14-24-41(37)46(45)48)47(38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-32H
InChIKeyBSKQXUIJWRUBLG-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine

N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine (PubChem CID 174307062) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine.

Molecular Properties

Compound NameN,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
PubChem CID174307062
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC NameN,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine
SMILESc1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c43)cc2)cc1
InChIInChI=1S/C46H32N2/c1-5-15-33(16-6-1)35-25-28-40(29-26-35)48-43-31-36(34-17-7-2-8-18-34)27-30-42(43)45-44(32-37-19-13-14-24-41(37)46(45)48)47(38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-32H
InChIKeyBSKQXUIJWRUBLG-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-naphthalen-2-yl-N,N,9-triphenylbenzo[a]carbazol-6-amine
CID 174307151
N,9,11-triphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174306801
N-(4-phenanthren-9-ylphenyl)-N,11-diphenyl-9-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307494
11-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307732
N,8-diphenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307064
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587
9-naphthalen-1-yl-N,11-diphenyl-N-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307600
N-dibenzothiophen-2-yl-N,11-diphenyl-9-triphenylen-2-ylbenzo[a]carbazol-6-amine
CID 174307742
N-(9,9-diphenylfluoren-4-yl)-N,9,11-triphenylbenzo[a]carbazol-6-amine
CID 174306819
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 168781839

Frequently Asked Questions

What is the IUPAC name of N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The IUPAC name of N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine (CID 174307062) is N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine.
What is the SMILES notation for N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The canonical SMILES for N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine is c1ccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4c(N(c5ccccc5)c5ccccc5)cc5ccccc5c43)cc2)cc1.
What is the InChIKey of N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine?
The InChIKey is BSKQXUIJWRUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-5-15-33(16-6-1)35-25-28-40(29-26-35)48-43-31-36(34-17-7-2-8-18-34)27-30-42(43)45-44(32-37-19-13-14-24-41(37)46(45)48)47(38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-32H.
What are the key properties of N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine?
N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,9-triphenyl-11-(4-phenylphenyl)benzo[a]carbazol-6-amine is sourced from PubChem (CID 174307062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).