N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C50H34N2 — CID 134380597

IUPACN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-2-12-35(13-3-1)37-22-27-42(28-23-37)51(44-31-24-36-14-4-5-15-39(36)32-44)43-29-25-38(26-30-43)45-18-8-10-20-48(45)52-49-21-11-9-19-46(49)47-33-40-16-6-7-17-41(40)34-50(47)52/h1-34H
InChIKeyCTSJXAQRXJPPAZ-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 134380597) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID134380597
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C50H34N2/c1-2-12-35(13-3-1)37-22-27-42(28-23-37)51(44-31-24-36-14-4-5-15-39(36)32-44)43-29-25-38(26-30-43)45-18-8-10-20-48(45)52-49-21-11-9-19-46(49)47-33-40-16-6-7-17-41(40)34-50(47)52/h1-34H
InChIKeyCTSJXAQRXJPPAZ-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-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
CID 142416176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
6-benzo[b]carbazol-5-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038052
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 134380597) is N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-n4c5ccccc5c5cc6ccccc6cc54)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is CTSJXAQRXJPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-12-35(13-3-1)37-22-27-42(28-23-37)51(44-31-24-36-14-4-5-15-39(36)32-44)43-29-25-38(26-30-43)45-18-8-10-20-48(45)52-49-21-11-9-19-46(49)47-33-40-16-6-7-17-41(40)34-50(47)52/h1-34H.
What are the key properties of N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(2-benzo[b]carbazol-5-ylphenyl)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-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 134380597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).