N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

C58H40N2 — CID 168790997

IUPACN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H40N2/c1-3-18-41(19-4-1)49-27-9-10-30-54(49)58-51(43-20-5-2-6-21-43)32-17-35-57(58)59(47-25-15-24-44(40-47)50-31-16-23-42-22-7-8-26-48(42)50)45-36-38-46(39-37-45)60-55-33-13-11-28-52(55)53-29-12-14-34-56(53)60/h1-40H
InChIKeyJELSGVVGAXHFCJ-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (PubChem CID 168790997) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
PubChem CID168790997
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C58H40N2/c1-3-18-41(19-4-1)49-27-9-10-30-54(49)58-51(43-20-5-2-6-21-43)32-17-35-57(58)59(47-25-15-24-44(40-47)50-31-16-23-42-22-7-8-26-48(42)50)45-36-38-46(39-37-45)60-55-33-13-11-28-52(55)53-29-12-14-34-56(53)60/h1-40H
InChIKeyJELSGVVGAXHFCJ-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-3-phenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789220
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
N-(3-naphthalen-1-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172501638
N,3-diphenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168789242
N-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789636
N-(2-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788472
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789650
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790793
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788793
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenyl-2-(2-phenylphenyl)aniline
CID 168790262
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline (CID 168790997) is N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2-c2c(-c3ccccc3)cccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
The InChIKey is JELSGVVGAXHFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-18-41(19-4-1)49-27-9-10-30-54(49)58-51(43-20-5-2-6-21-43)32-17-35-57(58)59(47-25-15-24-44(40-47)50-31-16-23-42-22-7-8-26-48(42)50)45-36-38-46(39-37-45)60-55-33-13-11-28-52(55)53-29-12-14-34-56(53)60/h1-40H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 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-(3-naphthalen-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline is sourced from PubChem (CID 168790997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).