6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene

C38H34S2 — CID 145260077

IUPAC6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene
SMILESCSc1ccccc1-c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2SC)ccc1-3
InChIInChI=1S/C38H34S2/c1-37(2)31-19-23(25-11-7-9-13-35(25)39-5)15-17-27(31)29-22-34-30(21-33(29)37)28-18-16-24(20-32(28)38(34,3)4)26-12-8-10-14-36(26)40-6/h7-22H,1-6H3
InChIKeyXZJNOKNDTPOWAV-UHFFFAOYSA-N
MW554.82 g/mol
LogP11.08
Rot. Bonds4

About 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene

6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene (PubChem CID 145260077) has the molecular formula C38H34S2 and a molecular weight of 554.82 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene
PubChem CID145260077
Molecular FormulaC38H34S2
Molecular Weight554.82 g/mol
Exact Mass554.21
IUPAC Name6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene
SMILESCSc1ccccc1-c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2SC)ccc1-3
InChIInChI=1S/C38H34S2/c1-37(2)31-19-23(25-11-7-9-13-35(25)39-5)15-17-27(31)29-22-34-30(21-33(29)37)28-18-16-24(20-32(28)38(34,3)4)26-12-8-10-14-36(26)40-6/h7-22H,1-6H3
InChIKeyXZJNOKNDTPOWAV-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.82
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9,9-trimethyl-2,7-bis(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782429
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
ethane;6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585060
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
2-(4-tert-butylphenyl)-9,9-dimethyl-7-(3,9,9-trimethylfluoren-2-yl)fluorene
CID 59782412
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-(2,5-diphenylphenyl)-9,9-dimethylfluorene
CID 58881189

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene?
The IUPAC name of 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene (CID 145260077) is 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene.
What is the SMILES notation for 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene?
The canonical SMILES for 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene is CSc1ccccc1-c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-c2ccccc2SC)ccc1-3.
What is the InChIKey of 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene?
The InChIKey is XZJNOKNDTPOWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34S2/c1-37(2)31-19-23(25-11-7-9-13-35(25)39-5)15-17-27(31)29-22-34-30(21-33(29)37)28-18-16-24(20-32(28)38(34,3)4)26-12-8-10-14-36(26)40-6/h7-22H,1-6H3.
What are the key properties of 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene?
6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene has a molecular weight of 554.82 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2,8-bis(2-methylsulfanylphenyl)indeno[1,2-b]fluorene is sourced from PubChem (CID 145260077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).