9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene

C29H26S2 — CID 51050761

IUPAC9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene
SMILESCc1ccc(Sc2ccc3c(c2)C(C)(C)c2cc(Sc4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C29H26S2/c1-19-5-9-21(10-6-19)30-23-13-15-25-26-16-14-24(31-22-11-7-20(2)8-12-22)18-28(26)29(3,4)27(25)17-23/h5-18H,1-4H3
InChIKeyGRGYMJGVMZPVOP-UHFFFAOYSA-N
MW438.66 g/mol
LogP8.91
Rot. Bonds4

About 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene

9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene (PubChem CID 51050761) has the molecular formula C29H26S2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene
PubChem CID51050761
Molecular FormulaC29H26S2
Molecular Weight438.66 g/mol
Exact Mass438.15
IUPAC Name9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene
SMILESCc1ccc(Sc2ccc3c(c2)C(C)(C)c2cc(Sc4ccc(C)cc4)ccc2-3)cc1
InChIInChI=1S/C29H26S2/c1-19-5-9-21(10-6-19)30-23-13-15-25-26-16-14-24(31-22-11-7-20(2)8-12-22)18-28(26)29(3,4)27(25)17-23/h5-18H,1-4H3
InChIKeyGRGYMJGVMZPVOP-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
3-[3-[4-(9,9-dimethylfluoren-2-yl)sulfanylphenyl]-2-methylphenyl]-4,9,9-trimethylfluorene
CID 144660569
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
2,6,9,9-tetramethylfluorene
CID 23527438
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
carbanide;2,7,9,9-tetramethylfluorene;7,9,9-trimethyl-2H-fluoren-2-ide;vanadium(2+)
CID 159557413
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
ethane;methane;2,9,9-trimethylfluorene
CID 144920604

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene?
The IUPAC name of 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene (CID 51050761) is 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene is Cc1ccc(Sc2ccc3c(c2)C(C)(C)c2cc(Sc4ccc(C)cc4)ccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene?
The InChIKey is GRGYMJGVMZPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26S2/c1-19-5-9-21(10-6-19)30-23-13-15-25-26-16-14-24(31-22-11-7-20(2)8-12-22)18-28(26)29(3,4)27(25)17-23/h5-18H,1-4H3.
What are the key properties of 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene?
9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene has a molecular weight of 438.66 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-bis[(4-methylphenyl)sulfanyl]fluorene is sourced from PubChem (CID 51050761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).