4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole

C20H13ClN2 — CID 90270899

IUPAC4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESClc1cc2c3ccccc3[nH]c2c2ccn(-c3ccccc3)c12
InChIInChI=1S/C20H13ClN2/c21-17-12-16-14-8-4-5-9-18(14)22-19(16)15-10-11-23(20(15)17)13-6-2-1-3-7-13/h1-12,22H
InChIKeyGRLIABWIQYHAKE-UHFFFAOYSA-N
MW316.79 g/mol
LogP5.92
Rot. Bonds1

About 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole

4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 90270899) has the molecular formula C20H13ClN2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID90270899
Molecular FormulaC20H13ClN2
Molecular Weight316.79 g/mol
Exact Mass316.08
IUPAC Name4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESClc1cc2c3ccccc3[nH]c2c2ccn(-c3ccccc3)c12
InChIInChI=1S/C20H13ClN2/c21-17-12-16-14-8-4-5-9-18(14)22-19(16)15-10-11-23(20(15)17)13-6-2-1-3-7-13/h1-12,22H
InChIKeyGRLIABWIQYHAKE-UHFFFAOYSA-N
XLogP5.92
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole (CID 90270899) is 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole is Clc1cc2c3ccccc3[nH]c2c2ccn(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is GRLIABWIQYHAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2/c21-17-12-16-14-8-4-5-9-18(14)22-19(16)15-10-11-23(20(15)17)13-6-2-1-3-7-13/h1-12,22H.
What are the key properties of 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole?
4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 316.79 g/mol, XLogP of 5.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-phenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90270899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).