2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene

C34H38 — CID 173006325

IUPAC2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(-c2ccc(C(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C34H38/c1-23(2)30-21-31(24(3)4)34(32(22-30)25(5)6)29-19-17-28(18-20-29)33(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-25,33H,1-6H3
InChIKeySXAYZYBPPNAHBF-UHFFFAOYSA-N
MW446.68 g/mol
LogP9.90
Rot. Bonds7

About 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene

2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene (PubChem CID 173006325) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene.

Molecular Properties

Compound Name2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
PubChem CID173006325
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
SMILESCC(C)c1cc(C(C)C)c(-c2ccc(C(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1
InChIInChI=1S/C34H38/c1-23(2)30-21-31(24(3)4)34(32(22-30)25(5)6)29-19-17-28(18-20-29)33(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-25,33H,1-6H3
InChIKeySXAYZYBPPNAHBF-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.90
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

2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037
2,6-bis[(2-hydroxy-5-propan-2-ylphenyl)-phenylmethyl]-4-propan-2-ylphenol
CID 23156082
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
benzene;cumene
CID 157215889
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
CID 71713668
CID 71713668

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene?
The IUPAC name of 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene (CID 173006325) is 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene.
What is the SMILES notation for 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene?
The canonical SMILES for 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene is CC(C)c1cc(C(C)C)c(-c2ccc(C(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1.
What is the InChIKey of 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene?
The InChIKey is SXAYZYBPPNAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38/c1-23(2)30-21-31(24(3)4)34(32(22-30)25(5)6)29-19-17-28(18-20-29)33(26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-25,33H,1-6H3.
What are the key properties of 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene?
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene has a molecular weight of 446.68 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene is sourced from PubChem (CID 173006325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).