1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene

C64H96 — CID 161255951

IUPAC1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)c1ccccc1.Cc1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18.C14H14.C12H10.9C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;9*1-2/h2-15,20H,1H3;2-12H,1H3;1-10H;9*1-2H3
InChIKeyVBXMZFBXRMRQHE-UHFFFAOYSA-N
MW865.47 g/mol
LogP21.60
Rot. Bonds6

About 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene

1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene (PubChem CID 161255951) has the molecular formula C64H96 and a molecular weight of 865.47 g/mol. Its IUPAC name is 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene.

Molecular Properties

Compound Name1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
PubChem CID161255951
Molecular FormulaC64H96
Molecular Weight865.47 g/mol
Exact Mass864.75
IUPAC Name1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)c1ccccc1.Cc1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18.C14H14.C12H10.9C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;9*1-2/h2-15,20H,1H3;2-12H,1H3;1-10H;9*1-2H3
InChIKeyVBXMZFBXRMRQHE-UHFFFAOYSA-N
XLogP21.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.47
LogP ≤ 521.60
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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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene?
The IUPAC name of 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene (CID 161255951) is 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene.
What is the SMILES notation for 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene?
The canonical SMILES for 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(c1ccccc1)c1ccccc1.Cc1ccc(C(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene?
The InChIKey is VBXMZFBXRMRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C14H14.C12H10.9C2H6/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;9*1-2/h2-15,20H,1H3;2-12H,1H3;1-10H;9*1-2H3.
What are the key properties of 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene?
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene has a molecular weight of 865.47 g/mol, XLogP of 21.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene is sourced from PubChem (CID 161255951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).