N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline

C64H43N3 — CID 142416176

IUPACN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C64H43N3/c1-2-16-48-43-49(30-29-44(48)15-1)45-31-37-50(38-32-45)65(51-39-33-46(34-40-51)53-17-3-9-23-59(53)66-61-25-11-5-19-55(61)56-20-6-12-26-62(56)66)52-41-35-47(36-42-52)54-18-4-10-24-60(54)67-63-27-13-7-21-57(63)58-22-8-14-28-64(58)67/h1-43H
InChIKeyVDPGRQVOPBWKOD-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.50
Rot. Bonds8

About N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline

N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline (PubChem CID 142416176) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
PubChem CID142416176
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC NameN,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1
InChIInChI=1S/C64H43N3/c1-2-16-48-43-49(30-29-44(48)15-1)45-31-37-50(38-32-45)65(51-39-33-46(34-40-51)53-17-3-9-23-59(53)66-61-25-11-5-19-55(61)56-20-6-12-26-62(56)66)52-41-35-47(36-42-52)54-18-4-10-24-60(54)67-63-27-13-7-21-57(63)58-22-8-14-28-64(58)67/h1-43H
InChIKeyVDPGRQVOPBWKOD-UHFFFAOYSA-N
XLogP17.50
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 167322146
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 167322678
4-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 167322685
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-7-(4-phenylphenyl)naphthalen-2-amine
CID 174277043
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
4-[3-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322341
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167322075
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)phenanthren-3-amine
CID 174276936
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 167322367
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 167322073
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline?
The IUPAC name of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline (CID 142416176) is N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline.
What is the SMILES notation for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline?
The canonical SMILES for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)c1.
What is the InChIKey of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline?
The InChIKey is VDPGRQVOPBWKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-2-16-48-43-49(30-29-44(48)15-1)45-31-37-50(38-32-45)65(51-39-33-46(34-40-51)53-17-3-9-23-59(53)66-61-25-11-5-19-55(61)56-20-6-12-26-62(56)66)52-41-35-47(36-42-52)54-18-4-10-24-60(54)67-63-27-13-7-21-57(63)58-22-8-14-28-64(58)67/h1-43H.
What are the key properties of N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline?
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline has a molecular weight of 854.07 g/mol, XLogP of 17.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-4-naphthalen-2-ylaniline is sourced from PubChem (CID 142416176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).