10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole

C25H19NS — CID 118345157

IUPAC10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)SC1C=CC=CC31
InChIInChI=1S/C25H19NS/c1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-15,18,24H,1H3
InChIKeyLFXYRAYLYYZIIA-UHFFFAOYSA-N
MW365.50 g/mol
LogP6.78
Rot. Bonds1

About 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole

10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole (PubChem CID 118345157) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole
PubChem CID118345157
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC Name10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole
SMILESCc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)SC1C=CC=CC31
InChIInChI=1S/C25H19NS/c1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-15,18,24H,1H3
InChIKeyLFXYRAYLYYZIIA-UHFFFAOYSA-N
XLogP6.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(5a,9a-dihydrodibenzothiophen-2-yl)-3-carbazol-9-ylcarbazole
CID 153201304
5-(5a,9a-dihydrodibenzothiophen-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 123711389
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
[3-(4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)-naphthalen-2-yl-λ3-iodane
CID 163637468
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-dibenzothiophen-3-ylcarbazole
CID 144650069
6-methyl-9-phenylcarbazole-3-thiol
CID 143213291
N-[3-(7-phenylbenzo[c]carbazol-10-yl)phenyl]-N-(3-phenylphenyl)-5a,9a-dihydrodibenzothiophen-2-amine
CID 170177943
3-carbazol-9-yl-6-methyl-9-phenylcarbazole;2-(3-methylcarbazol-9-yl)-9-phenylcarbazole
CID 158584509
2-methyl-9-phenylcarbazole
CID 59552741
9-phenyl-2-(26-phenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,16,18,22,24-undecaen-5-yl)carbazole
CID 118860681

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole (CID 118345157) is 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole is Cc1ccc2c(c1)c1cc3c(cc1n2-c1ccccc1)SC1C=CC=CC31.
What is the InChIKey of 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is LFXYRAYLYYZIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-16-11-12-22-19(13-16)20-14-21-18-9-5-6-10-24(18)27-25(21)15-23(20)26(22)17-7-3-2-4-8-17/h2-15,18,24H,1H3.
What are the key properties of 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole?
10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 365.50 g/mol, XLogP of 6.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-phenyl-4a,12b-dihydro-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 118345157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).