2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene

C26H24 — CID 168830969

IUPAC2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCc1ccc(C2=CC3C(c4ccccc4)Cc4ccccc4C3C2)cc1
InChIInChI=1S/C26H24/c1-18-11-13-19(14-12-18)22-16-25-23-10-6-5-9-21(23)15-24(26(25)17-22)20-7-3-2-4-8-20/h2-14,17,24-26H,15-16H2,1H3
InChIKeyTVJDTBXLPGEOIO-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.52
Rot. Bonds2

About 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene

2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene (PubChem CID 168830969) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
PubChem CID168830969
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESCc1ccc(C2=CC3C(c4ccccc4)Cc4ccccc4C3C2)cc1
InChIInChI=1S/C26H24/c1-18-11-13-19(14-12-18)22-16-25-23-10-6-5-9-21(23)15-24(26(25)17-22)20-7-3-2-4-8-20/h2-14,17,24-26H,15-16H2,1H3
InChIKeyTVJDTBXLPGEOIO-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
2-(4-methylphenyl)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]
CID 168830974
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 143904645
[4-[2-(2-phenyl-2,3-dihydro-1H-inden-1-yl)phenyl]phenyl]methanol
CID 174473302
1-methyl-7,7a-dihydro-2aH-cyclobuta[a]indene
CID 134992429
7-methyl-3-[(5R)-5-(2-methylphenyl)-3-(4-methylphenyl)cyclopent-2-en-1-yl]-1-phenylnaphthalene
CID 168830911
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
(1R,11bR)-4-(4-methylphenyl)sulfonyl-1-phenyl-2,6,7,11b-tetrahydro-1H-pyridazino[6,1-a]isoquinolin-3-one
CID 91826608

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene (CID 168830969) is 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene is Cc1ccc(C2=CC3C(c4ccccc4)Cc4ccccc4C3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is TVJDTBXLPGEOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-18-11-13-19(14-12-18)22-16-25-23-10-6-5-9-21(23)15-24(26(25)17-22)20-7-3-2-4-8-20/h2-14,17,24-26H,15-16H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 336.48 g/mol, XLogP of 6.52, 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-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 168830969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).