1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene

C32H32 — CID 143707750

IUPAC1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
SMILESCc1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C32H32/c1-25-17-21-30(22-18-25)32(28-13-7-3-8-14-28,29-15-9-4-10-16-29)31-23-19-27(20-24-31)26-11-5-2-6-12-26/h2-3,5-8,11-14,17-24,29H,4,9-10,15-16H2,1H3
InChIKeyQQDQFGVEOAGFTJ-UHFFFAOYSA-N
MW416.61 g/mol
LogP8.58
Rot. Bonds5

About 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene

1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene (PubChem CID 143707750) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
PubChem CID143707750
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene
SMILESCc1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C32H32/c1-25-17-21-30(22-18-25)32(28-13-7-3-8-14-28,29-15-9-4-10-16-29)31-23-19-27(20-24-31)26-11-5-2-6-12-26/h2-3,5-8,11-14,17-24,29H,4,9-10,15-16H2,1H3
InChIKeyQQDQFGVEOAGFTJ-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 71260606
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1,1'-biphenyl;cyclohexanol
CID 142137438
4-tritylpiperidin-1-ium
CID 155644615
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
tert-butylbenzene;tert-butylcyclopentane;1-tert-butyl-4-methylbenzene;2,2-dimethylhexane;2,2,3,3-tetramethylbutane
CID 158955573
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene?
The IUPAC name of 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene (CID 143707750) is 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene.
What is the SMILES notation for 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene?
The canonical SMILES for 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene is Cc1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3)cc2)C2CCCCC2)cc1.
What is the InChIKey of 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene?
The InChIKey is QQDQFGVEOAGFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-25-17-21-30(22-18-25)32(28-13-7-3-8-14-28,29-15-9-4-10-16-29)31-23-19-27(20-24-31)26-11-5-2-6-12-26/h2-3,5-8,11-14,17-24,29H,4,9-10,15-16H2,1H3.
What are the key properties of 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene?
1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene has a molecular weight of 416.61 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(4-methylphenyl)-phenylmethyl]-4-phenylbenzene is sourced from PubChem (CID 143707750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).