6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole

C25H19NS — CID 144578730

IUPAC6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
SMILESCn1c2c(c3cc(-c4ccc5sc6ccccc6c5c4)ccc31)C=CCC2
InChIInChI=1S/C25H19NS/c1-26-22-8-4-2-6-18(22)20-14-16(10-12-23(20)26)17-11-13-25-21(15-17)19-7-3-5-9-24(19)27-25/h2-3,5-7,9-15H,4,8H2,1H3
InChIKeyZETHTBUASZPCRF-UHFFFAOYSA-N
MW365.50 g/mol
LogP7.17
Rot. Bonds1

About 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole

6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole (PubChem CID 144578730) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
PubChem CID144578730
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC Name6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
SMILESCn1c2c(c3cc(-c4ccc5sc6ccccc6c5c4)ccc31)C=CCC2
InChIInChI=1S/C25H19NS/c1-26-22-8-4-2-6-18(22)20-14-16(10-12-23(20)26)17-11-13-25-21(15-17)19-7-3-5-9-24(19)27-25/h2-3,5-7,9-15H,4,8H2,1H3
InChIKeyZETHTBUASZPCRF-UHFFFAOYSA-N
XLogP7.17
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 ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[9-(3-dibenzothiophen-2-ylphenyl)-7,8-dihydrocarbazol-3-yl]-2,9-diphenyl-[1,3]thiazolo[4,5-b]carbazole
CID 144788176
2-[11,17-di(dibenzothiophen-2-yl)-24-(6,7-dihydrodibenzothiophen-2-yl)-4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15(20),16,18,21(26),22,24-tridecaenyl]dibenzothiophene
CID 89132816
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
CID 142424800
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
9-dibenzothiophen-2-yl-4-(1,2-dihydrocarbazol-9-yl)carbazole
CID 137468008
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole?
The IUPAC name of 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole (CID 144578730) is 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole.
What is the SMILES notation for 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole?
The canonical SMILES for 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole is Cn1c2c(c3cc(-c4ccc5sc6ccccc6c5c4)ccc31)C=CCC2.
What is the InChIKey of 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole?
The InChIKey is ZETHTBUASZPCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-26-22-8-4-2-6-18(22)20-14-16(10-12-23(20)26)17-11-13-25-21(15-17)19-7-3-5-9-24(19)27-25/h2-3,5-7,9-15H,4,8H2,1H3.
What are the key properties of 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole?
6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole has a molecular weight of 365.50 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole is sourced from PubChem (CID 144578730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).