5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine

C50H34N2 — CID 169010481

IUPAC5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c4c(-c5cccc6ccccc56)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C50H34N2/c1-3-18-38(19-4-1)51(40-30-28-37(29-31-40)43-24-11-16-35-14-7-9-22-42(35)43)41-32-33-47-49(34-41)52(39-20-5-2-6-21-39)48-27-13-26-46(50(47)48)45-25-12-17-36-15-8-10-23-44(36)45/h1-34H
InChIKeyXHRLJOIHOBXAJG-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine

5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine (PubChem CID 169010481) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
PubChem CID169010481
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c4c(-c5cccc6ccccc56)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C50H34N2/c1-3-18-38(19-4-1)51(40-30-28-37(29-31-40)43-24-11-16-35-14-7-9-22-42(35)43)41-32-33-47-49(34-41)52(39-20-5-2-6-21-39)48-27-13-26-46(50(47)48)45-25-12-17-36-15-8-10-23-44(36)45/h1-34H
InChIKeyXHRLJOIHOBXAJG-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-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
5-naphthalen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169010384
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
4-naphthalen-1-yl-N-phenyl-N-[4-(7-phenylbenzo[c]carbazol-5-yl)phenyl]aniline
CID 170177852
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine?
The IUPAC name of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine (CID 169010481) is 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c4c(-c5cccc6ccccc56)cccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine?
The InChIKey is XHRLJOIHOBXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-18-38(19-4-1)51(40-30-28-37(29-31-40)43-24-11-16-35-14-7-9-22-42(35)43)41-32-33-47-49(34-41)52(39-20-5-2-6-21-39)48-27-13-26-46(50(47)48)45-25-12-17-36-15-8-10-23-44(36)45/h1-34H.
What are the key properties of 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine?
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-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 5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 169010481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).