N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline

C50H34N2 — CID 170177898

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C50H34N2/c1-3-16-40(17-4-1)51(42-29-25-36(26-30-42)45-23-12-14-35-13-7-8-21-44(35)45)43-20-11-15-37(34-43)38-27-31-46-39(33-38)28-32-49-50(46)47-22-9-10-24-48(47)52(49)41-18-5-2-6-19-41/h1-34H
InChIKeyDSIXYQLUAHKSTG-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline

N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline (PubChem CID 170177898) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
PubChem CID170177898
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C50H34N2/c1-3-16-40(17-4-1)51(42-29-25-36(26-30-42)45-23-12-14-35-13-7-8-21-44(35)45)43-20-11-15-37(34-43)38-27-31-46-39(33-38)28-32-49-50(46)47-22-9-10-24-48(47)52(49)41-18-5-2-6-19-41/h1-34H
InChIKeyDSIXYQLUAHKSTG-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-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
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-(4-phenanthren-9-ylphenyl)-3-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 166660024
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline (CID 170177898) is N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc(-c3ccc4c(ccc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline?
The InChIKey is DSIXYQLUAHKSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-3-16-40(17-4-1)51(42-29-25-36(26-30-42)45-23-12-14-35-13-7-8-21-44(35)45)43-20-11-15-37(34-43)38-27-31-46-39(33-38)28-32-49-50(46)47-22-9-10-24-48(47)52(49)41-18-5-2-6-19-41/h1-34H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline?
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline 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-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline is sourced from PubChem (CID 170177898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).