2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]

C31H32 — CID 168830974

IUPAC2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]
SMILESCc1ccc(C2=CC3C(C2)c2ccccc2CC32CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C31H32/c1-22-11-13-24(14-12-22)27-19-29-28-10-6-5-9-26(28)21-31(30(29)20-27)17-15-25(16-18-31)23-7-3-2-4-8-23/h2-14,20,25,29-30H,15-19,21H2,1H3
InChIKeyVARFLVSCEXKPIY-UHFFFAOYSA-N
MW404.60 g/mol
LogP8.08
Rot. Bonds2

About 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]

2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] (PubChem CID 168830974) has the molecular formula C31H32 and a molecular weight of 404.60 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane].

Molecular Properties

Compound Name2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]
PubChem CID168830974
Molecular FormulaC31H32
Molecular Weight404.60 g/mol
Exact Mass404.25
IUPAC Name2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]
SMILESCc1ccc(C2=CC3C(C2)c2ccccc2CC32CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C31H32/c1-22-11-13-24(14-12-22)27-19-29-28-10-6-5-9-26(28)21-31(30(29)20-27)17-15-25(16-18-31)23-7-3-2-4-8-23/h2-14,20,25,29-30H,15-19,21H2,1H3
InChIKeyVARFLVSCEXKPIY-UHFFFAOYSA-N
XLogP8.08
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 ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] with MolForge

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Related Compounds

6-[(9bR)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 168830978
2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 168830969
1-[(3R,4R)-3,4-diphenylcyclopenten-1-yl]-4-methylbenzene
CID 71581361
1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
CID 71581394
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
2-(4-methylphenyl)-5-(1-methyl-4-phenylcyclohexyl)-1,3,4-oxadiazole
CID 59079242
(10bR)-2-(4-methylphenyl)-4'-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 7408034
8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 143904645
6-phenylspiro[2.5]octane
CID 123640963
[4-(4-methylphenyl)-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)cyclohexyl] acetate
CID 144517003
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]?
The IUPAC name of 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] (CID 168830974) is 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane].
What is the SMILES notation for 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]?
The canonical SMILES for 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] is Cc1ccc(C2=CC3C(C2)c2ccccc2CC32CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]?
The InChIKey is VARFLVSCEXKPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32/c1-22-11-13-24(14-12-22)27-19-29-28-10-6-5-9-26(28)21-31(30(29)20-27)17-15-25(16-18-31)23-7-3-2-4-8-23/h2-14,20,25,29-30H,15-19,21H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]?
2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] has a molecular weight of 404.60 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane] is sourced from PubChem (CID 168830974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).