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N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine

C48H34N2 — CID 121287921

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C48H34N2/c1-6-18-35(19-7-1)38-32-44(36-20-8-2-9-21-36)48(45(33-38)37-22-10-3-11-23-37)49(39-24-12-4-13-25-39)41-30-31-43-42-28-16-17-29-46(42)50(47(43)34-41)40-26-14-5-15-27-40/h1-34H
InChIKeyGXUALQSAFMDJBS-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine

N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine (PubChem CID 121287921) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
PubChem CID121287921
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C48H34N2/c1-6-18-35(19-7-1)38-32-44(36-20-8-2-9-21-36)48(45(33-38)37-22-10-3-11-23-37)49(39-24-12-4-13-25-39)41-30-31-43-42-28-16-17-29-46(42)50(47(43)34-41)40-26-14-5-15-27-40/h1-34H
InChIKeyGXUALQSAFMDJBS-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine (CID 121287921) is N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine is c1ccc(-c2cc(-c3ccccc3)c(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
The InChIKey is GXUALQSAFMDJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-6-18-35(19-7-1)38-32-44(36-20-8-2-9-21-36)48(45(33-38)37-22-10-3-11-23-37)49(39-24-12-4-13-25-39)41-30-31-43-42-28-16-17-29-46(42)50(47(43)34-41)40-26-14-5-15-27-40/h1-34H.
What are the key properties of N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine?
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine has a molecular weight of 638.81 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine is sourced from PubChem (CID 121287921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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