9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene

C29H26 — CID 123478090

IUPAC9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(C3=CC=CC(C)(C)C=C3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26/c1-21-14-16-23(17-15-21)29(22-9-8-19-28(2,3)20-18-22)26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h4-20H,1-3H3
InChIKeyOQGUNHPVKACVDT-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.39
Rot. Bonds2

About 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene

9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene (PubChem CID 123478090) has the molecular formula C29H26 and a molecular weight of 374.53 g/mol. Its IUPAC name is 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene.

Molecular Properties

Compound Name9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
PubChem CID123478090
Molecular FormulaC29H26
Molecular Weight374.53 g/mol
Exact Mass374.20
IUPAC Name9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
SMILESCc1ccc(C2(C3=CC=CC(C)(C)C=C3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C29H26/c1-21-14-16-23(17-15-21)29(22-9-8-19-28(2,3)20-18-22)26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h4-20H,1-3H3
InChIKeyOQGUNHPVKACVDT-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)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-bis(4-methylphenyl)fluorene;propane
CID 144938703
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
CID 144938959
tetrakis(9,9-dimethylfluorene);tetrakis(9,9-diphenylfluorene);ethane;toluene
CID 157389689
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
2-bromo-9-(4-methylphenyl)-9-phenylfluorene
CID 58174872
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
oxolane;3,3,19,19-tetrakis(4-methylphenyl)-11-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 139039485
10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
CID 142527160
ethane;9-(4-methylphenyl)fluoren-9-ol
CID 91233628

Frequently Asked Questions

What is the IUPAC name of 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene?
The IUPAC name of 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene (CID 123478090) is 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene.
What is the SMILES notation for 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene?
The canonical SMILES for 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene is Cc1ccc(C2(C3=CC=CC(C)(C)C=C3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene?
The InChIKey is OQGUNHPVKACVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26/c1-21-14-16-23(17-15-21)29(22-9-8-19-28(2,3)20-18-22)26-12-6-4-10-24(26)25-11-5-7-13-27(25)29/h4-20H,1-3H3.
What are the key properties of 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene?
9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene has a molecular weight of 374.53 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene is sourced from PubChem (CID 123478090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).