7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene

C39H40O — CID 123801484

IUPAC7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene
SMILESC=C1C(=CC2=CC(C=C3C=C4OC(c5ccccc5)=CC(c5ccccc5)=C4CC3)CCC2)CCCC1=C(C)C
InChIInChI=1S/C39H40O/c1-27(2)35-19-11-18-34(28(35)3)24-30-13-10-12-29(22-30)23-31-20-21-36-37(32-14-6-4-7-15-32)26-38(40-39(36)25-31)33-16-8-5-9-17-33/h4-9,14-17,22-26,29H,3,10-13,18-21H2,1-2H3
InChIKeyPJEYXGRCAKWJEN-UHFFFAOYSA-N
MW524.75 g/mol
LogP10.85
Rot. Bonds4

About 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene

7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene (PubChem CID 123801484) has the molecular formula C39H40O and a molecular weight of 524.75 g/mol. Its IUPAC name is 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene.

Molecular Properties

Compound Name7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene
PubChem CID123801484
Molecular FormulaC39H40O
Molecular Weight524.75 g/mol
Exact Mass524.31
IUPAC Name7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene
SMILESC=C1C(=CC2=CC(C=C3C=C4OC(c5ccccc5)=CC(c5ccccc5)=C4CC3)CCC2)CCCC1=C(C)C
InChIInChI=1S/C39H40O/c1-27(2)35-19-11-18-34(28(35)3)24-30-13-10-12-29(22-30)23-31-20-21-36-37(32-14-6-4-7-15-32)26-38(40-39(36)25-31)33-16-8-5-9-17-33/h4-9,14-17,22-26,29H,3,10-13,18-21H2,1-2H3
InChIKeyPJEYXGRCAKWJEN-UHFFFAOYSA-N
XLogP10.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene with MolForge

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Related Compounds

8-[[3-[(2,4-diphenyl-6,7,8,8a-tetrahydro-5H-chromen-8-yl)methylidene]cyclohexen-1-yl]methylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
CID 76619874
methyl (2E)-2-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)methylidene]-3-oxobutanoate
CID 6515346
8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate
CID 74057221
2-[2-(2,4-diphenyl-5,6-dihydrocyclopenta[b]pyran-7-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium
CID 35340404
[(1Z)-1-[(2E)-2-ethylidenecyclopentylidene]ethyl]benzene
CID 135038215
6-tert-butyl-8-[(E)-[3-[(E)-(6-tert-butyl-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-chlorocyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene
CID 14876349
2-[(E)-3-(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)prop-2-enylidene]propanedinitrile
CID 35793428
5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione
CID 101222987
2-[(8E)-8-[(3,4-diphenyl-5-piperidin-1-ylthiophen-2-yl)methylidene]-2-phenyl-6,7-dihydro-5H-chromen-4-ylidene]propanedinitrile
CID 89336593
[(E)-[(2E)-2-benzylidenecyclohexylidene]methyl]-trimethylsilane
CID 10539037
(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
CID 167268356
(4Z)-4-benzylidene-6-phenylpyran-2-one
CID 134105973

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene?
The IUPAC name of 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene (CID 123801484) is 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene.
What is the SMILES notation for 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene?
The canonical SMILES for 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene is C=C1C(=CC2=CC(C=C3C=C4OC(c5ccccc5)=CC(c5ccccc5)=C4CC3)CCC2)CCCC1=C(C)C.
What is the InChIKey of 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene?
The InChIKey is PJEYXGRCAKWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O/c1-27(2)35-19-11-18-34(28(35)3)24-30-13-10-12-29(22-30)23-31-20-21-36-37(32-14-6-4-7-15-32)26-38(40-39(36)25-31)33-16-8-5-9-17-33/h4-9,14-17,22-26,29H,3,10-13,18-21H2,1-2H3.
What are the key properties of 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene?
7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene has a molecular weight of 524.75 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(2-methylidene-3-propan-2-ylidenecyclohexylidene)methyl]cyclohex-2-en-1-yl]methylidene]-2,4-diphenyl-5,6-dihydrochromene is sourced from PubChem (CID 123801484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).