3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline

C50H34N2 — CID 170380197

IUPAC3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5ccc6ccccc6c5)c34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H34N2/c1-2-17-40(18-3-1)51(42-19-12-20-43(34-42)52-48-25-8-6-21-46(48)47-22-7-9-26-49(47)52)41-31-29-36(30-32-41)44-23-10-15-37-16-11-24-45(50(37)44)39-28-27-35-13-4-5-14-38(35)33-39/h1-34H
InChIKeyIQNHALRPQCCDLF-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline

3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline (PubChem CID 170380197) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
PubChem CID170380197
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC Name3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4cccc(-c5ccc6ccccc6c5)c34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H34N2/c1-2-17-40(18-3-1)51(42-19-12-20-43(34-42)52-48-25-8-6-21-46(48)47-22-7-9-26-49(47)52)41-31-29-36(30-32-41)44-23-10-15-37-16-11-24-45(50(37)44)39-28-27-35-13-4-5-14-38(35)33-39/h1-34H
InChIKeyIQNHALRPQCCDLF-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

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379993
3-carbazol-9-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578515
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
N-(3-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenylaniline
CID 166566208
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)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 166566072
3-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 146577954
N-(3-carbazol-9-ylphenyl)-9,10-diphenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]anthracen-2-amine
CID 168798372
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
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 146578366
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline?
The IUPAC name of 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline (CID 170380197) is 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4cccc(-c5ccc6ccccc6c5)c34)cc2)c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline?
The InChIKey is IQNHALRPQCCDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-2-17-40(18-3-1)51(42-19-12-20-43(34-42)52-48-25-8-6-21-46(48)47-22-7-9-26-49(47)52)41-31-29-36(30-32-41)44-23-10-15-37-16-11-24-45(50(37)44)39-28-27-35-13-4-5-14-38(35)33-39/h1-34H.
What are the key properties of 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline?
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline 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 3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 170380197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).