3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole

C39H23ClN2S — CID 163607053

IUPAC3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole
SMILESClc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C39H23ClN2S/c40-28-16-18-36-32(23-28)31-20-25(26-15-19-38-33(21-26)29-11-5-7-13-37(29)43-38)14-17-35(31)42(36)39-30(24-8-2-1-3-9-24)22-27-10-4-6-12-34(27)41-39/h1-23H
InChIKeyHCRJCSQFEYKXCN-UHFFFAOYSA-N
MW587.15 g/mol
LogP11.69
Rot. Bonds3

About 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole

3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole (PubChem CID 163607053) has the molecular formula C39H23ClN2S and a molecular weight of 587.15 g/mol. Its IUPAC name is 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole.

Molecular Properties

Compound Name3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole
PubChem CID163607053
Molecular FormulaC39H23ClN2S
Molecular Weight587.15 g/mol
Exact Mass586.13
IUPAC Name3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole
SMILESClc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1nc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C39H23ClN2S/c40-28-16-18-36-32(23-28)31-20-25(26-15-19-38-33(21-26)29-11-5-7-13-37(29)43-38)14-17-35(31)42(36)39-30(24-8-2-1-3-9-24)22-27-10-4-6-12-34(27)41-39/h1-23H
InChIKeyHCRJCSQFEYKXCN-UHFFFAOYSA-N
XLogP11.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.15
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole?
The IUPAC name of 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole (CID 163607053) is 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole.
What is the SMILES notation for 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole?
The canonical SMILES for 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole is Clc1ccc2c(c1)c1cc(-c3ccc4sc5ccccc5c4c3)ccc1n2-c1nc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole?
The InChIKey is HCRJCSQFEYKXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23ClN2S/c40-28-16-18-36-32(23-28)31-20-25(26-15-19-38-33(21-26)29-11-5-7-13-37(29)43-38)14-17-35(31)42(36)39-30(24-8-2-1-3-9-24)22-27-10-4-6-12-34(27)41-39/h1-23H.
What are the key properties of 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole?
3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole has a molecular weight of 587.15 g/mol, XLogP of 11.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-dibenzothiophen-2-yl-9-(3-phenylquinolin-2-yl)carbazole is sourced from PubChem (CID 163607053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).