3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole

C32H22BrNS — CID 90089697

IUPAC3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5sc6ccc(C)cc6c5c4)ccc32)cc1
InChIInChI=1S/C32H22BrNS/c1-19-3-9-24(10-4-19)34-29-11-6-21(16-25(29)26-18-23(33)8-12-30(26)34)22-7-14-32-28(17-22)27-15-20(2)5-13-31(27)35-32/h3-18H,1-2H3
InChIKeyOWKFGRVHECBHGL-UHFFFAOYSA-N
MW532.51 g/mol
LogP10.20
Rot. Bonds2

About 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole

3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole (PubChem CID 90089697) has the molecular formula C32H22BrNS and a molecular weight of 532.51 g/mol. Its IUPAC name is 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole
PubChem CID90089697
Molecular FormulaC32H22BrNS
Molecular Weight532.51 g/mol
Exact Mass531.07
IUPAC Name3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole
SMILESCc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5sc6ccc(C)cc6c5c4)ccc32)cc1
InChIInChI=1S/C32H22BrNS/c1-19-3-9-24(10-4-19)34-29-11-6-21(16-25(29)26-18-23(33)8-12-30(26)34)22-7-14-32-28(17-22)27-15-20(2)5-13-31(27)35-32/h3-18H,1-2H3
InChIKeyOWKFGRVHECBHGL-UHFFFAOYSA-N
XLogP10.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.51
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole?
The IUPAC name of 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole (CID 90089697) is 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole.
What is the SMILES notation for 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole?
The canonical SMILES for 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole is Cc1ccc(-n2c3ccc(Br)cc3c3cc(-c4ccc5sc6ccc(C)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole?
The InChIKey is OWKFGRVHECBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrNS/c1-19-3-9-24(10-4-19)34-29-11-6-21(16-25(29)26-18-23(33)8-12-30(26)34)22-7-14-32-28(17-22)27-15-20(2)5-13-31(27)35-32/h3-18H,1-2H3.
What are the key properties of 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole?
3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole has a molecular weight of 532.51 g/mol, XLogP of 10.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(8-methyldibenzothiophen-2-yl)-9-(4-methylphenyl)carbazole is sourced from PubChem (CID 90089697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).