3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene

C28H26 — CID 178165636

IUPAC3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c(-c3ccccc3)cc(C3=CCCC=C3)cc1-2
InChIInChI=1S/C28H26/c1-19-14-15-23-25-18-22(20-10-6-4-7-11-20)17-24(21-12-8-5-9-13-21)27(25)28(2,3)26(23)16-19/h5-6,8-18H,4,7H2,1-3H3
InChIKeyMWOFSHCKOFFBGN-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.70
Rot. Bonds2

About 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene

3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene (PubChem CID 178165636) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
PubChem CID178165636
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c(-c3ccccc3)cc(C3=CCCC=C3)cc1-2
InChIInChI=1S/C28H26/c1-19-14-15-23-25-18-22(20-10-6-4-7-11-20)17-24(21-12-8-5-9-13-21)27(25)28(2,3)26(23)16-19/h5-6,8-18H,4,7H2,1-3H3
InChIKeyMWOFSHCKOFFBGN-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene 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

5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
N-(5-cyclohexa-1,5-dien-1-yl-2-phenylphenyl)-N,9,9-trimethylfluoren-2-amine
CID 145303021
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-phenylindeno[1,2-b]fluoren-2-amine
CID 142541184
1-cyclohexa-1,5-dien-1-yl-2-methyl-3-phenylbenzene
CID 144787270
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
2-cyclohexa-1,5-dien-1-yl-7-iodo-9,9-dimethylfluorene
CID 70987003
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
3-(7-cyclohexa-1,5-dien-1-yl-9,9-dimethylfluoren-3-yl)-N-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-phenylaniline;propane
CID 156827524
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 156510122

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene (CID 178165636) is 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene is Cc1ccc2c(c1)C(C)(C)c1c(-c3ccccc3)cc(C3=CCCC=C3)cc1-2.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene?
The InChIKey is MWOFSHCKOFFBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-19-14-15-23-25-18-22(20-10-6-4-7-11-20)17-24(21-12-8-5-9-13-21)27(25)28(2,3)26(23)16-19/h5-6,8-18H,4,7H2,1-3H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene?
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene has a molecular weight of 362.52 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene is sourced from PubChem (CID 178165636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).