N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine

C66H45N3 — CID 172503107

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H45N3/c1-3-21-46(22-4-1)51-25-7-8-27-53(51)54-28-9-10-29-55(54)56-30-12-17-35-62(56)67(50-43-44-60-59-33-13-18-36-63(59)68(66(60)45-50)48-23-5-2-6-24-48)49-41-39-47(40-42-49)52-26-11-16-34-61(52)69-64-37-19-14-31-57(64)58-32-15-20-38-65(58)69/h1-45H
InChIKeyPKTQYYSTPPNDMN-UHFFFAOYSA-N
MW880.11 g/mol
LogP18.02
Rot. Bonds9

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine

N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine (PubChem CID 172503107) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
PubChem CID172503107
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C66H45N3/c1-3-21-46(22-4-1)51-25-7-8-27-53(51)54-28-9-10-29-55(54)56-30-12-17-35-62(56)67(50-43-44-60-59-33-13-18-36-63(59)68(66(60)45-50)48-23-5-2-6-24-48)49-41-39-47(40-42-49)52-26-11-16-34-61(52)69-64-37-19-14-31-57(64)58-32-15-20-38-65(58)69/h1-45H
InChIKeyPKTQYYSTPPNDMN-UHFFFAOYSA-N
XLogP18.02
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501369
N,N-bis(3-phenylphenyl)-2-[2-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline;N,N-diphenyl-2-[2-[9-[2-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 157255211
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502154
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 134380684
4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 154965993

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine (CID 172503107) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine is c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine?
The InChIKey is PKTQYYSTPPNDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-3-21-46(22-4-1)51-25-7-8-27-53(51)54-28-9-10-29-55(54)56-30-12-17-35-62(56)67(50-43-44-60-59-33-13-18-36-63(59)68(66(60)45-50)48-23-5-2-6-24-48)49-41-39-47(40-42-49)52-26-11-16-34-61(52)69-64-37-19-14-31-57(64)58-32-15-20-38-65(58)69/h1-45H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine has a molecular weight of 880.11 g/mol, XLogP of 18.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine is sourced from PubChem (CID 172503107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).