2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole

C33H27N3 — CID 140715562

IUPAC2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCC5)cc43)c2)nc1
InChIInChI=1S/C33H27N3/c1-2-14-30-27(12-1)28-17-16-25(33(18-5-6-19-33)32-15-4-8-21-35-32)23-31(28)36(30)26-11-9-10-24(22-26)29-13-3-7-20-34-29/h1-4,7-17,20-23H,5-6,18-19H2
InChIKeyOKTMEAJDDYJKJW-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.10
Rot. Bonds4

About 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole

2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 140715562) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
PubChem CID140715562
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCC5)cc43)c2)nc1
InChIInChI=1S/C33H27N3/c1-2-14-30-27(12-1)28-17-16-25(33(18-5-6-19-33)32-15-4-8-21-35-32)23-31(28)36(30)26-11-9-10-24(22-26)29-13-3-7-20-34-29/h1-4,7-17,20-23H,5-6,18-19H2
InChIKeyOKTMEAJDDYJKJW-UHFFFAOYSA-N
XLogP8.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole (CID 140715562) is 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCC5)cc43)c2)nc1.
What is the InChIKey of 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole?
The InChIKey is OKTMEAJDDYJKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3/c1-2-14-30-27(12-1)28-17-16-25(33(18-5-6-19-33)32-15-4-8-21-35-32)23-31(28)36(30)26-11-9-10-24(22-26)29-13-3-7-20-34-29/h1-4,7-17,20-23H,5-6,18-19H2.
What are the key properties of 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole?
2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 465.60 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 140715562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).