11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole

C31H21NS — CID 145080082

IUPAC11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc4sc5ccccc5c4cc32)c1
InChIInChI=1S/C31H21NS/c1-20-8-7-11-23(16-20)32-28-15-14-22(21-9-3-2-4-10-21)17-25(28)26-19-31-27(18-29(26)32)24-12-5-6-13-30(24)33-31/h2-19H,1H3
InChIKeyFIOZQUUKWUNSLZ-UHFFFAOYSA-N
MW439.58 g/mol
LogP9.13
Rot. Bonds2

About 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole

11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole (PubChem CID 145080082) has the molecular formula C31H21NS and a molecular weight of 439.58 g/mol. Its IUPAC name is 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
PubChem CID145080082
Molecular FormulaC31H21NS
Molecular Weight439.58 g/mol
Exact Mass439.14
IUPAC Name11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole
SMILESCc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc4sc5ccccc5c4cc32)c1
InChIInChI=1S/C31H21NS/c1-20-8-7-11-23(16-20)32-28-15-14-22(21-9-3-2-4-10-21)17-25(28)26-19-31-27(18-29(26)32)24-12-5-6-13-30(24)33-31/h2-19H,1H3
InChIKeyFIOZQUUKWUNSLZ-UHFFFAOYSA-N
XLogP9.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzylbenzene;11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole;propane
CID 145080081
11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 171053255
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425

Frequently Asked Questions

What is the IUPAC name of 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole (CID 145080082) is 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole is Cc1cccc(-n2c3ccc(-c4ccccc4)cc3c3cc4sc5ccccc5c4cc32)c1.
What is the InChIKey of 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is FIOZQUUKWUNSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NS/c1-20-8-7-11-23(16-20)32-28-15-14-22(21-9-3-2-4-10-21)17-25(28)26-19-31-27(18-29(26)32)24-12-5-6-13-30(24)33-31/h2-19H,1H3.
What are the key properties of 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole?
11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 439.58 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-methylphenyl)-8-phenyl-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 145080082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).