9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole

C36H22ClNS — CID 90372125

IUPAC9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
SMILESClc1ccc2c(c1)sc1ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)cc12
InChIInChI=1S/C36H22ClNS/c37-27-13-16-30-32-22-28(14-18-35(32)39-36(30)21-27)38-33-17-12-25(23-7-3-1-4-8-23)19-31(33)29-15-11-26(20-34(29)38)24-9-5-2-6-10-24/h1-22H
InChIKeyQDJJOLLVKQIQQC-UHFFFAOYSA-N
MW536.10 g/mol
LogP11.14
Rot. Bonds3

About 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole

9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole (PubChem CID 90372125) has the molecular formula C36H22ClNS and a molecular weight of 536.10 g/mol. Its IUPAC name is 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
PubChem CID90372125
Molecular FormulaC36H22ClNS
Molecular Weight536.10 g/mol
Exact Mass535.12
IUPAC Name9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole
SMILESClc1ccc2c(c1)sc1ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)cc12
InChIInChI=1S/C36H22ClNS/c37-27-13-16-30-32-22-28(14-18-35(32)39-36(30)21-27)38-33-17-12-25(23-7-3-1-4-8-23)19-31(33)29-15-11-26(20-34(29)38)24-9-5-2-6-10-24/h1-22H
InChIKeyQDJJOLLVKQIQQC-UHFFFAOYSA-N
XLogP11.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.10
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-2-phenyl-9-(2-phenylphenyl)carbazole
CID 170072587
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-dibenzothiophen-2-yl-2-phenyl-6-pyridin-3-ylcarbazole
CID 163526919
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
CID 144619443
CID 144619443
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
2-(8-chlorodibenzothiophen-2-yl)-9-phenylcarbazole;prop-1-ene
CID 145430466

Frequently Asked Questions

What is the IUPAC name of 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole?
The IUPAC name of 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole (CID 90372125) is 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole.
What is the SMILES notation for 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole?
The canonical SMILES for 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole is Clc1ccc2c(c1)sc1ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5ccccc5)cc43)cc12.
What is the InChIKey of 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole?
The InChIKey is QDJJOLLVKQIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNS/c37-27-13-16-30-32-22-28(14-18-35(32)39-36(30)21-27)38-33-17-12-25(23-7-3-1-4-8-23)19-31(33)29-15-11-26(20-34(29)38)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole?
9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole has a molecular weight of 536.10 g/mol, XLogP of 11.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-chlorodibenzothiophen-2-yl)-2,6-diphenylcarbazole is sourced from PubChem (CID 90372125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).