7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole

C27H25NS — CID 71007489

IUPAC7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole
SMILESCC(C)n1c2c(c3ccc(-c4cccc5c4SC4C=CC=CC54)cc31)CCC=C2
InChIInChI=1S/C27H25NS/c1-17(2)28-24-12-5-3-8-20(24)21-15-14-18(16-25(21)28)19-10-7-11-23-22-9-4-6-13-26(22)29-27(19)23/h4-7,9-17,22,26H,3,8H2,1-2H3
InChIKeyGWUZCTOEMJSAIQ-UHFFFAOYSA-N
MW395.57 g/mol
LogP7.53
Rot. Bonds2

About 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole

7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole (PubChem CID 71007489) has the molecular formula C27H25NS and a molecular weight of 395.57 g/mol. Its IUPAC name is 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole
PubChem CID71007489
Molecular FormulaC27H25NS
Molecular Weight395.57 g/mol
Exact Mass395.17
IUPAC Name7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole
SMILESCC(C)n1c2c(c3ccc(-c4cccc5c4SC4C=CC=CC54)cc31)CCC=C2
InChIInChI=1S/C27H25NS/c1-17(2)28-24-12-5-3-8-20(24)21-15-14-18(16-25(21)28)19-10-7-11-23-22-9-4-6-13-26(22)29-27(19)23/h4-7,9-17,22,26H,3,8H2,1-2H3
InChIKeyGWUZCTOEMJSAIQ-UHFFFAOYSA-N
XLogP7.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5a,9a-dihydrodibenzothiophen-4-yl)-9-(2-anthracen-9-ylphenyl)carbazole
CID 123217032
9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 67121569
2-[4-(5a,9a-dihydrodibenzothiophen-4-yl)phenyl]-1-phenylbenzimidazole
CID 163965427
3-(5a,9a-dihydrodibenzothiophen-2-yl)-9-propan-2-ylcarbazole
CID 164832563
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
6-butan-2-yl-4a,9b-dihydrodibenzothiophene
CID 146854747
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine
CID 66656683
N-[4-(5a,9a-dihydrodibenzothiophen-4-yl)phenyl]-N-[4-(2-carbazol-9-ylphenyl)phenyl]-8,8a-dihydronaphthalen-1-amine
CID 155396585
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 145202852
2-(5a,9a-dihydrodibenzothiophen-4-yl)-4-(9,9-dimethylfluoren-1-yl)-6-(2,4-diphenylphenyl)-1,3,5-triazine
CID 167349749

Frequently Asked Questions

What is the IUPAC name of 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole?
The IUPAC name of 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole (CID 71007489) is 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole.
What is the SMILES notation for 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole?
The canonical SMILES for 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole is CC(C)n1c2c(c3ccc(-c4cccc5c4SC4C=CC=CC54)cc31)CCC=C2.
What is the InChIKey of 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole?
The InChIKey is GWUZCTOEMJSAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NS/c1-17(2)28-24-12-5-3-8-20(24)21-15-14-18(16-25(21)28)19-10-7-11-23-22-9-4-6-13-26(22)29-27(19)23/h4-7,9-17,22,26H,3,8H2,1-2H3.
What are the key properties of 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole?
7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole has a molecular weight of 395.57 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5a,9a-dihydrodibenzothiophen-4-yl)-9-propan-2-yl-3,4-dihydrocarbazole is sourced from PubChem (CID 71007489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).