9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene

C29H28 — CID 145212388

IUPAC9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
SMILESCC1=C(c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2C)C=CCC1
InChIInChI=1S/C29H28/c1-19-9-5-6-10-23(19)26-17-21(14-13-20(26)2)22-15-16-25-24-11-7-8-12-27(24)29(3,4)28(25)18-22/h6-8,10-18H,5,9H2,1-4H3
InChIKeyIYCRDORESBVKGK-UHFFFAOYSA-N
MW376.54 g/mol
LogP8.09
Rot. Bonds2

About 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene

9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene (PubChem CID 145212388) has the molecular formula C29H28 and a molecular weight of 376.54 g/mol. Its IUPAC name is 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
PubChem CID145212388
Molecular FormulaC29H28
Molecular Weight376.54 g/mol
Exact Mass376.22
IUPAC Name9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
SMILESCC1=C(c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2C)C=CCC1
InChIInChI=1S/C29H28/c1-19-9-5-6-10-23(19)26-17-21(14-13-20(26)2)22-15-16-25-24-11-7-8-12-27(24)29(3,4)28(25)18-22/h6-8,10-18H,5,9H2,1-4H3
InChIKeyIYCRDORESBVKGK-UHFFFAOYSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]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

9,9-dimethyl-2-(2-methylphenyl)fluorene
CID 58389997
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
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
2-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluorene
CID 142381891
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
1,6-bis(9,9-dimethylfluoren-2-yl)-9-methyl-3,8-bis[3-methyl-4-(2-methylphenyl)phenyl]carbazole
CID 90249372

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene (CID 145212388) is 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene is CC1=C(c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2C)C=CCC1.
What is the InChIKey of 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene?
The InChIKey is IYCRDORESBVKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28/c1-19-9-5-6-10-23(19)26-17-21(14-13-20(26)2)22-15-16-25-24-11-7-8-12-27(24)29(3,4)28(25)18-22/h6-8,10-18H,5,9H2,1-4H3.
What are the key properties of 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene?
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene has a molecular weight of 376.54 g/mol, XLogP of 8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene is sourced from PubChem (CID 145212388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).