N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine

C50H34N2 — CID 174307834

IUPACN-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-4-15-35(16-5-1)37-27-30-42(31-28-37)51(43-32-29-36-17-10-11-20-39(36)33-43)46-25-14-26-47-49(46)48-45(38-18-6-2-7-19-38)34-40-21-12-13-24-44(40)50(48)52(47)41-22-8-3-9-23-41/h1-34H
InChIKeyGBJLHMLWKFHZPC-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine

N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine (PubChem CID 174307834) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine
PubChem CID174307834
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-4-15-35(16-5-1)37-27-30-42(31-28-37)51(43-32-29-36-17-10-11-20-39(36)33-43)46-25-14-26-47-49(46)48-45(38-18-6-2-7-19-38)34-40-21-12-13-24-44(40)50(48)52(47)41-22-8-3-9-23-41/h1-34H
InChIKeyGBJLHMLWKFHZPC-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166660282
N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 174306026
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-1-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-2-amine;N-(4-naphthalen-2-ylphenyl)-11-phenyl-N-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 163713790
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
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
8-naphthalen-2-yl-N,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-6-amine
CID 174307587

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine?
The IUPAC name of N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine (CID 174307834) is N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine.
What is the SMILES notation for N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine?
The canonical SMILES for N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4c3c3c(-c5ccccc5)cc5ccccc5c3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine?
The InChIKey is GBJLHMLWKFHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-4-15-35(16-5-1)37-27-30-42(31-28-37)51(43-32-29-36-17-10-11-20-39(36)33-43)46-25-14-26-47-49(46)48-45(38-18-6-2-7-19-38)34-40-21-12-13-24-44(40)50(48)52(47)41-22-8-3-9-23-41/h1-34H.
What are the key properties of N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine?
N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine is sourced from PubChem (CID 174307834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).