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

C52H36N2 — CID 170380154

IUPACN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4)c23)cc1
InChIInChI=1S/C52H36N2/c1-3-14-38(15-4-1)46-24-12-16-39-17-13-25-47(52(39)46)41-19-11-18-40(36-41)37-28-30-43(31-29-37)53(42-20-5-2-6-21-42)44-32-34-45(35-33-44)54-50-26-9-7-22-48(50)49-23-8-10-27-51(49)54/h1-36H
InChIKeyFJAWQPHVFGDNLQ-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.41
Rot. Bonds7

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

N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170380154) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170380154
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3cccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4)c23)cc1
InChIInChI=1S/C52H36N2/c1-3-14-38(15-4-1)46-24-12-16-39-17-13-25-47(52(39)46)41-19-11-18-40(36-41)37-28-30-43(31-29-37)53(42-20-5-2-6-21-42)44-32-34-45(35-33-44)54-50-26-9-7-22-48(50)49-23-8-10-27-51(49)54/h1-36H
InChIKeyFJAWQPHVFGDNLQ-UHFFFAOYSA-N
XLogP14.41
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170380140
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N,4-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016056
N-(4-carbazol-9-ylphenyl)-4-(8-naphthalen-1-ylnaphthalen-1-yl)-N-phenylaniline
CID 170380175
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-(4-carbazol-9-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161173154
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170380154) is N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline is c1ccc(-c2cccc3cccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)c4)c23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is FJAWQPHVFGDNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-3-14-38(15-4-1)46-24-12-16-39-17-13-25-47(52(39)46)41-19-11-18-40(36-41)37-28-30-43(31-29-37)53(42-20-5-2-6-21-42)44-32-34-45(35-33-44)54-50-26-9-7-22-48(50)49-23-8-10-27-51(49)54/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 688.87 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[3-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170380154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).