1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene

C32H34 — CID 20734477

IUPAC1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C32H34/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29/h7-22H,1-6H3
InChIKeyBRFRDFVCQYUELO-UHFFFAOYSA-N
MW418.62 g/mol
LogP8.29
Rot. Bonds5

About 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene

1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene (PubChem CID 20734477) has the molecular formula C32H34 and a molecular weight of 418.62 g/mol. Its IUPAC name is 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
PubChem CID20734477
Molecular FormulaC32H34
Molecular Weight418.62 g/mol
Exact Mass418.27
IUPAC Name1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene
SMILESCc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C32H34/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29/h7-22H,1-6H3
InChIKeyBRFRDFVCQYUELO-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.62
LogP ≤ 58.29
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-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
ethane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 145481867
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
1-tert-butyl-4-methylbenzene
CID 163486601
1-[1,1-bis(4-deuteriophenyl)ethyl]-4-methylbenzene
CID 158122819
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
1-deuterio-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 158122818
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
1,4-diethylbenzene;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene
CID 159662015

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene (CID 20734477) is 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene is Cc1ccc(C(C)(C)c2ccc(C(C)(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene?
The InChIKey is BRFRDFVCQYUELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34/c1-23-7-13-26(14-8-23)31(4,5)27-19-21-30(22-20-27)32(6,28-15-9-24(2)10-16-28)29-17-11-25(3)12-18-29/h7-22H,1-6H3.
What are the key properties of 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene?
1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene has a molecular weight of 418.62 g/mol, XLogP of 8.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-methylphenyl)ethyl]-4-[2-(4-methylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 20734477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).