6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene

C27H26 — CID 142356061

IUPAC6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene
SMILESCC1=C(c2cc(-c3ccc4c(c3)C3CC=CC=C3C4)ccc2C)C=CCC1
InChIInChI=1S/C27H26/c1-18-7-3-5-9-24(18)26-16-20(12-11-19(26)2)21-13-14-23-15-22-8-4-6-10-25(22)27(23)17-21/h4-6,8-9,11-14,16-17,25H,3,7,10,15H2,1-2H3
InChIKeyCIQHHMNWGDBYFJ-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.31
Rot. Bonds2

About 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene

6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene (PubChem CID 142356061) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene.

Molecular Properties

Compound Name6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene
PubChem CID142356061
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene
SMILESCC1=C(c2cc(-c3ccc4c(c3)C3CC=CC=C3C4)ccc2C)C=CCC1
InChIInChI=1S/C27H26/c1-18-7-3-5-9-24(18)26-16-20(12-11-19(26)2)21-13-14-23-15-22-8-4-6-10-25(22)27(23)17-21/h4-6,8-9,11-14,16-17,25H,3,7,10,15H2,1-2H3
InChIKeyCIQHHMNWGDBYFJ-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene with MolForge

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Related Compounds

1,4-dimethyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 144508719
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
4a,9-dihydro-4H-fluorene
CID 123273632
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
N-imino-4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzenecarboximidamide
CID 142938749
3-[3-ethenyl-1-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(9H-fluoren-3-yl)carbazole
CID 144619407
9,10-dimethyl-1,2,8,8a-tetrahydroanthracene
CID 145498367
1-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)benzene
CID 145174438
10,10-dioxo-2-spiro[1,2,4b,5-tetrahydrofluorene-9,9'-fluorene]-2'-yl-7-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylthioxanthen-9-one
CID 123197571
N-[1-[6-[4-methyl-3-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]-9H-fluoren-2-yl]ethyl]-1-phenylprop-1-en-1-amine
CID 142614979
1,3-dimethyl-4,5-dihydro-2H-indene
CID 158841865
2-(5-cyclohexa-1,3-dien-1-yl-2-methylphenyl)dibenzothiophene
CID 129266980

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene?
The IUPAC name of 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene (CID 142356061) is 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene.
What is the SMILES notation for 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene?
The canonical SMILES for 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene is CC1=C(c2cc(-c3ccc4c(c3)C3CC=CC=C3C4)ccc2C)C=CCC1.
What is the InChIKey of 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene?
The InChIKey is CIQHHMNWGDBYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-18-7-3-5-9-24(18)26-16-20(12-11-19(26)2)21-13-14-23-15-22-8-4-6-10-25(22)27(23)17-21/h4-6,8-9,11-14,16-17,25H,3,7,10,15H2,1-2H3.
What are the key properties of 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene?
6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene has a molecular weight of 350.51 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]-4a,9-dihydro-4H-fluorene is sourced from PubChem (CID 142356061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).