6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene

C24H26 — CID 91232843

IUPAC6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene
SMILESC1=CCC(C2CC3C(=CC=C4C=CCCC43)C3=C2C=CCC3)C=C1
InChIInChI=1S/C24H26/c1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h1-4,7-8,10,13-15,17,19,23-24H,5-6,9,11-12,16H2
InChIKeyCYTXAIJLIRKHEM-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.23
Rot. Bonds1

About 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene

6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene (PubChem CID 91232843) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene.

Molecular Properties

Compound Name6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene
PubChem CID91232843
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene
SMILESC1=CCC(C2CC3C(=CC=C4C=CCCC43)C3=C2C=CCC3)C=C1
InChIInChI=1S/C24H26/c1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h1-4,7-8,10,13-15,17,19,23-24H,5-6,9,11-12,16H2
InChIKeyCYTXAIJLIRKHEM-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene with MolForge

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Related Compounds

CID 123495975
CID 123495975
2-[4-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)-1,2,8a,10a-tetrahydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-3-cyclohexa-2,4-dien-1-yl-4,5-dihydro-3H-1-benzazepine
CID 143913969
spiro[2,4,4a,4b,5,6-hexahydro-1H-phenanthrene-3,1'-cyclobutane]
CID 90920629
2-cyclohexa-2,4-dien-1-yl-3-methyl-2,3,4,4a,6,7-hexahydrodibenzothiophene
CID 71234823
(9R,10aR)-9-iodo-3,4,4a,5,6,9,10,10a-octahydrophenanthrene
CID 89170259
5,6,9,9a-tetrahydro-1H-carbazole
CID 88903924
4-[5-(4a,7,8,12,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-2,4-dien-1-yl]-2-cyclohex-2-en-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170065918
5-cyclohepta-2,4-dien-1-ylcyclohepta-1,3-diene
CID 13115978
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
2-cyclohexa-1,5-dien-1-yl-6-cyclohexa-2,4-dien-1-yl-1-methyl-4-[3-(5-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene
CID 123256945
9-[4-[4-(1,5,6,8b,12a,12b-hexahydrotriphenylen-2-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 123149050
2-(4-amino-3-cyclohexa-2,4-dien-1-ylcyclohex-3-en-1-yl)cyclohexa-1,3-diene-1-thiol
CID 89394768

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene?
The IUPAC name of 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene (CID 91232843) is 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene.
What is the SMILES notation for 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene?
The canonical SMILES for 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene is C1=CCC(C2CC3C(=CC=C4C=CCCC43)C3=C2C=CCC3)C=C1.
What is the InChIKey of 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene?
The InChIKey is CYTXAIJLIRKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-2-8-17(9-3-1)23-16-24-19-11-5-4-10-18(19)14-15-22(24)20-12-6-7-13-21(20)23/h1-4,7-8,10,13-15,17,19,23-24H,5-6,9,11-12,16H2.
What are the key properties of 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene?
6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene has a molecular weight of 314.47 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-2,4-dien-1-yl-3,4,4a,4b,5,6,9,10-octahydrochrysene is sourced from PubChem (CID 91232843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).