N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C50H34N2 — CID 166660282

IUPACN-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc5ccccc5c5c4c4ccccc4n5-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-29-42(30-27-37)51(44-31-28-36-16-7-8-17-38(36)32-44)43-22-13-19-39(33-43)47-34-40-18-9-10-23-45(40)50-49(47)46-24-11-12-25-48(46)52(50)41-20-5-2-6-21-41/h1-34H
InChIKeyBIIXMAGEAQOODC-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 166660282) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID166660282
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc5ccccc5c5c4c4ccccc4n5-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-29-42(30-27-37)51(44-31-28-36-16-7-8-17-38(36)32-44)43-22-13-19-39(33-43)47-34-40-18-9-10-23-45(40)50-49(47)46-24-11-12-25-48(46)52(50)41-20-5-2-6-21-41/h1-34H
InChIKeyBIIXMAGEAQOODC-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)phenanthren-2-amine
CID 167195599
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660622
N-(4-phenanthren-9-ylphenyl)-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]phenanthren-2-amine
CID 167196384
N-(4-phenanthren-9-ylphenyl)-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166659716
N,N-bis(4-phenanthren-9-ylphenyl)-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660342
N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 174306026
N-(4-naphthalen-1-ylphenyl)-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 167195087
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,5-diphenyl-N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]aniline
CID 166660632
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166659546
N-naphthalen-2-yl-6,11-diphenyl-N-(4-phenylphenyl)benzo[a]carbazol-7-amine
CID 174307834
N,N-diphenyl-4-[11-phenyl-6-(4-phenylphenyl)benzo[a]carbazol-9-yl]aniline
CID 174306559

Frequently Asked Questions

What is the IUPAC name of N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 166660282) is N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cc5ccccc5c5c4c4ccccc4n5-c4ccccc4)c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is BIIXMAGEAQOODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-14-35(15-4-1)37-26-29-42(30-27-37)51(44-31-28-36-16-7-8-17-38(36)32-44)43-22-13-19-39(33-43)47-34-40-18-9-10-23-45(40)50-49(47)46-24-11-12-25-48(46)52(50)41-20-5-2-6-21-41/h1-34H.
What are the key properties of N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-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-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166660282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).