2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]

C31H32 — CID 102216951

IUPAC2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]
SMILESCC12CCC(C3(Cc4ccccc4C3)C1=C(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C31H32/c1-29(2)26-18-19-30(29,3)28(31(26)20-24-16-10-11-17-25(24)21-31)27(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,26H,18-21H2,1-3H3
InChIKeyJLIHUJVSWNADER-UHFFFAOYSA-N
MW404.60 g/mol
LogP7.73
Rot. Bonds2

About 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]

2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] (PubChem CID 102216951) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]
PubChem CID102216951
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Name2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]
SMILESCC12CCC(C3(Cc4ccccc4C3)C1=C(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C31H32/c1-29(2)26-18-19-30(29,3)28(31(26)20-24-16-10-11-17-25(24)21-31)27(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,26H,18-21H2,1-3H3
InChIKeyJLIHUJVSWNADER-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.60
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] with MolForge

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Related Compounds

(Z)-1,3-diethoxy-3-oxo-2-(1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]-2'-ylidene)selaniumylprop-1-en-1-olate
CID 177404405
(1R,3S,4S)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 98103353
5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine
CID 139108031
15-benzhydrylidene-1,8-dimethyl-4,5-diphenylpentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraen-16-one
CID 22295690
1,7,7-trimethyl-2',2'-diphenylspiro[bicyclo[2.2.1]heptane-3,3'-thiirane]-2-one
CID 135004145
(1R,3S,4S)-1,7,7-trimethyl-2',2'-diphenylspiro[bicyclo[2.2.1]heptane-3,3'-thiirane]-2-one
CID 101383864
(1S,4R)-1,7,7-trimethyl-3-phenacylidenebicyclo[2.2.1]heptan-2-one
CID 90927855
[(1'R,2'R,4'S)-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]-2'-yl] 2-phenylacetate
CID 10785638
4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2,2-dicarboxylic acid
CID 66610288
(3-benzoyl-2,2,3-trimethylcyclopentyl)-phenylmethanone
CID 2750591
(1S,3S,4S)-1,7,7-trimethyl-3-(3-phenylpropyl)-3-[(1S,2R,4R)-4,7,7-trimethyl-3-oxo-2-(3-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 124527996
1,7,7-trimethyl-3-(3-phenylpropyl)-3-[4,7,7-trimethyl-3-oxo-2-(3-phenylpropyl)-2-bicyclo[2.2.1]heptanyl]bicyclo[2.2.1]heptan-2-one
CID 2750794

Frequently Asked Questions

What is the IUPAC name of 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]?
The IUPAC name of 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] (CID 102216951) is 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] is CC12CCC(C3(Cc4ccccc4C3)C1=C(c1ccccc1)c1ccccc1)C2(C)C.
What is the InChIKey of 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]?
The InChIKey is JLIHUJVSWNADER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32/c1-29(2)26-18-19-30(29,3)28(31(26)20-24-16-10-11-17-25(24)21-31)27(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-17,26H,18-21H2,1-3H3.
What are the key properties of 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane]?
2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] has a molecular weight of 404.60 g/mol, XLogP of 7.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-benzhydrylidene-1',7',7'-trimethylspiro[1,3-dihydroindene-2,3'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 102216951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).