5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene

C26H24 — CID 144663219

IUPAC5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C3=CCCC=C3)c3ccccc3c1-2
InChIInChI=1S/C26H24/c1-17-13-14-21-23(15-17)26(2,3)24-16-22(18-9-5-4-6-10-18)19-11-7-8-12-20(19)25(21)24/h5,7-16H,4,6H2,1-3H3
InChIKeyICXHGJSSIAYELJ-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.19
Rot. Bonds1

About 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene

5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene (PubChem CID 144663219) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene.

Molecular Properties

Compound Name5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
PubChem CID144663219
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C3=CCCC=C3)c3ccccc3c1-2
InChIInChI=1S/C26H24/c1-17-13-14-21-23(15-17)26(2,3)24-16-22(18-9-5-4-6-10-18)19-11-7-8-12-20(19)25(21)24/h5,7-16H,4,6H2,1-3H3
InChIKeyICXHGJSSIAYELJ-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
3-cyclohexa-1,5-dien-1-yl-7,9,9-trimethyl-1-phenylfluorene
CID 178165636
4-[4-(5-cyclohexa-1,5-dien-1-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-1,2,4a,8,9,9b-hexahydrodibenzothiophene
CID 155017057
1-cyclohexa-1,5-dien-1-yl-2,4-dimethylbenzene
CID 174023509
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
5-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-11,11-dimethyl-2-N,5-N-diphenyl-2-N-(4-phenylphenyl)benzo[b]fluorene-2,5-diamine
CID 134442738
2,7,9,9-tetramethylfluorene
CID 22951928
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293
N,N-bis(2,4-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,20-decaen-9-amine
CID 123412117
7,7-dimethyl-5-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 123260279
9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene
CID 144613924
2-[30-(4,6-dimethylpyrimidin-2-yl)-5,5,19,19,33,33-hexamethyl-8-nonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaenyl]-4,6-dimethylpyrimidine
CID 90297471

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene?
The IUPAC name of 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene (CID 144663219) is 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene.
What is the SMILES notation for 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene?
The canonical SMILES for 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene is Cc1ccc2c(c1)C(C)(C)c1cc(C3=CCCC=C3)c3ccccc3c1-2.
What is the InChIKey of 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene?
The InChIKey is ICXHGJSSIAYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-17-13-14-21-23(15-17)26(2,3)24-16-22(18-9-5-4-6-10-18)19-11-7-8-12-20(19)25(21)24/h5,7-16H,4,6H2,1-3H3.
What are the key properties of 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene?
5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene has a molecular weight of 336.48 g/mol, XLogP of 7.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene is sourced from PubChem (CID 144663219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).