3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

C56H38N2 — CID 170379993

IUPAC3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C56H38N2/c1-2-14-40(15-3-1)50-26-11-18-43-19-12-27-51(56(43)50)42-32-36-45(37-33-42)57(44-34-30-41(31-35-44)49-25-10-17-39-16-4-5-22-48(39)49)46-20-13-21-47(38-46)58-54-28-8-6-23-52(54)53-24-7-9-29-55(53)58/h1-38H
InChIKeyYPUQMEZNWLMAIB-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170379993) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170379993
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1
InChIInChI=1S/C56H38N2/c1-2-14-40(15-3-1)50-26-11-18-43-19-12-27-51(56(43)50)42-32-36-45(37-33-42)57(44-34-30-41(31-35-44)49-25-10-17-39-16-4-5-22-48(39)49)46-20-13-21-47(38-46)58-54-28-8-6-23-52(54)53-24-7-9-29-55(53)58/h1-38H
InChIKeyYPUQMEZNWLMAIB-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-(4-naphthalen-1-ylphenyl)-3-(1-phenylbenzo[c]carbazol-7-yl)-N-(4-phenylphenyl)aniline
CID 177100994
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
CID 168798372
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
N-(3-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502466
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170379993) is 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)cc4)c23)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is YPUQMEZNWLMAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-14-40(15-3-1)50-26-11-18-43-19-12-27-51(56(43)50)42-32-36-45(37-33-42)57(44-34-30-41(31-35-44)49-25-10-17-39-16-4-5-22-48(39)49)46-20-13-21-47(38-46)58-54-28-8-6-23-52(54)53-24-7-9-29-55(53)58/h1-38H.
What are the key properties of 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline?
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170379993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).