4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene

C32H26S — CID 163439998

IUPAC4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene
SMILESCC1C=C(c2ccc3c(c2)C2C=CC=CC2(C)c2ccccc2-3)c2sc3ccccc3c2C1
InChIInChI=1S/C32H26S/c1-20-17-25(31-27(18-20)24-10-4-6-13-30(24)33-31)21-14-15-22-23-9-3-5-11-28(23)32(2)16-8-7-12-29(32)26(22)19-21/h3-17,19-20,29H,18H2,1-2H3
InChIKeyAXRWHMJDQKWYAF-UHFFFAOYSA-N
MW442.63 g/mol
LogP8.67
Rot. Bonds1

About 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene

4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene (PubChem CID 163439998) has the molecular formula C32H26S and a molecular weight of 442.63 g/mol. Its IUPAC name is 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene.

Molecular Properties

Compound Name4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene
PubChem CID163439998
Molecular FormulaC32H26S
Molecular Weight442.63 g/mol
Exact Mass442.18
IUPAC Name4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene
SMILESCC1C=C(c2ccc3c(c2)C2C=CC=CC2(C)c2ccccc2-3)c2sc3ccccc3c2C1
InChIInChI=1S/C32H26S/c1-20-17-25(31-27(18-20)24-10-4-6-13-30(24)33-31)21-14-15-22-23-9-3-5-11-28(23)32(2)16-8-7-12-29(32)26(22)19-21/h3-17,19-20,29H,18H2,1-2H3
InChIKeyAXRWHMJDQKWYAF-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

14-(4b-methyl-8aH-triphenylen-2-yl)-8,10-dithia-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 163578409
2-dibenzofuran-1-yl-4-[7-(2-methyl-1,2-dihydrodibenzothiophen-4-yl)dibenzothiophen-3-yl]-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167044746
9a-methyl-9-methylidene-4aH-fluorene
CID 144629603
6-dibenzothiophen-4-yl-9a-methyl-9-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-4aH-carbazole
CID 123953575
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1,3,5-triazine
CID 134529412
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)-5,6,7a,11a-tetrahydrofluoreno[5,6-b][1]benzothiol-9-amine
CID 163512500
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491338
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4b,8a-dihydrophenanthren-9-amine
CID 118486980
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343

Frequently Asked Questions

What is the IUPAC name of 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene?
The IUPAC name of 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene (CID 163439998) is 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene.
What is the SMILES notation for 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene?
The canonical SMILES for 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene is CC1C=C(c2ccc3c(c2)C2C=CC=CC2(C)c2ccccc2-3)c2sc3ccccc3c2C1.
What is the InChIKey of 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene?
The InChIKey is AXRWHMJDQKWYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26S/c1-20-17-25(31-27(18-20)24-10-4-6-13-30(24)33-31)21-14-15-22-23-9-3-5-11-28(23)32(2)16-8-7-12-29(32)26(22)19-21/h3-17,19-20,29H,18H2,1-2H3.
What are the key properties of 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene?
4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene has a molecular weight of 442.63 g/mol, XLogP of 8.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8b-methyl-12aH-triphenylen-2-yl)-2-methyl-1,2-dihydrodibenzothiophene is sourced from PubChem (CID 163439998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).