2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole

C36H23N3 — CID 158235124

IUPAC2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccccc3n2)cc(-n2c3ccccc3c3ccc(-c4ccc5ccccc5n4)cc32)c1
InChIInChI=1S/C36H23N3/c1-4-13-31-24(8-1)17-20-33(37-31)26-10-7-11-28(22-26)39-35-15-6-3-12-29(35)30-19-16-27(23-36(30)39)34-21-18-25-9-2-5-14-32(25)38-34/h1-23H
InChIKeyCTSUCANXZHYCOR-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.21
Rot. Bonds3

About 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole

2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole (PubChem CID 158235124) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
PubChem CID158235124
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3ccccc3n2)cc(-n2c3ccccc3c3ccc(-c4ccc5ccccc5n4)cc32)c1
InChIInChI=1S/C36H23N3/c1-4-13-31-24(8-1)17-20-33(37-31)26-10-7-11-28(22-26)39-35-15-6-3-12-29(35)30-19-16-27(23-36(30)39)34-21-18-25-9-2-5-14-32(25)38-34/h1-23H
InChIKeyCTSUCANXZHYCOR-UHFFFAOYSA-N
XLogP9.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole?
The IUPAC name of 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole (CID 158235124) is 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole?
The canonical SMILES for 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole is c1cc(-c2ccc3ccccc3n2)cc(-n2c3ccccc3c3ccc(-c4ccc5ccccc5n4)cc32)c1.
What is the InChIKey of 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole?
The InChIKey is CTSUCANXZHYCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-4-13-31-24(8-1)17-20-33(37-31)26-10-7-11-28(22-26)39-35-15-6-3-12-29(35)30-19-16-27(23-36(30)39)34-21-18-25-9-2-5-14-32(25)38-34/h1-23H.
What are the key properties of 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole?
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole has a molecular weight of 497.60 g/mol, XLogP of 9.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole is sourced from PubChem (CID 158235124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).