N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

C54H37N3 — CID 169009864

IUPACN-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H37N3/c1-4-19-38(20-5-1)42-25-10-13-29-47(42)56(50-32-16-17-33-51(50)57-48-30-14-11-26-44(48)45-27-12-15-31-49(45)57)41-35-36-46-53(37-41)55(40-23-8-3-9-24-40)52-34-18-28-43(54(46)52)39-21-6-2-7-22-39/h1-37H
InChIKeyXNINAJGTDXASKH-UHFFFAOYSA-N
MW727.91 g/mol
LogP14.68
Rot. Bonds7

About N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 169009864) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID169009864
Molecular FormulaC54H37N3
Molecular Weight727.91 g/mol
Exact Mass727.30
IUPAC NameN-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H37N3/c1-4-19-38(20-5-1)42-25-10-13-29-47(42)56(50-32-16-17-33-51(50)57-48-30-14-11-26-44(48)45-27-12-15-31-49(45)57)41-35-36-46-53(37-41)55(40-23-8-3-9-24-40)52-34-18-28-43(54(46)52)39-21-6-2-7-22-39/h1-37H
InChIKeyXNINAJGTDXASKH-UHFFFAOYSA-N
XLogP14.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.91
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785
4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 154965993
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009785
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216
N-(2,4-diphenylphenyl)-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286478
5-naphthalen-2-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 169010505
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 169009864) is N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is XNINAJGTDXASKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-4-19-38(20-5-1)42-25-10-13-29-47(42)56(50-32-16-17-33-51(50)57-48-30-14-11-26-44(48)45-27-12-15-31-49(45)57)41-35-36-46-53(37-41)55(40-23-8-3-9-24-40)52-34-18-28-43(54(46)52)39-21-6-2-7-22-39/h1-37H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 727.91 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169009864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).