1,4-bis(4-benzhydrylphenyl)benzene;ethane

C60H82 — CID 159665111

IUPAC1,4-bis(4-benzhydrylphenyl)benzene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H34.8C2H6/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40;8*1-2/h1-32,43-44H;8*1-2H3
InChIKeyMTHPHMZMLZPYMF-UHFFFAOYSA-N
MW803.32 g/mol
LogP19.59
Rot. Bonds8

About 1,4-bis(4-benzhydrylphenyl)benzene;ethane

1,4-bis(4-benzhydrylphenyl)benzene;ethane (PubChem CID 159665111) has the molecular formula C60H82 and a molecular weight of 803.32 g/mol. Its IUPAC name is 1,4-bis(4-benzhydrylphenyl)benzene;ethane.

Molecular Properties

Compound Name1,4-bis(4-benzhydrylphenyl)benzene;ethane
PubChem CID159665111
Molecular FormulaC60H82
Molecular Weight803.32 g/mol
Exact Mass802.64
IUPAC Name1,4-bis(4-benzhydrylphenyl)benzene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H34.8C2H6/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40;8*1-2/h1-32,43-44H;8*1-2H3
InChIKeyMTHPHMZMLZPYMF-UHFFFAOYSA-N
XLogP19.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.32
LogP ≤ 519.59
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-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
CID 160759704
4-benzhydrylpyridine;ethane
CID 90843990
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-iodo-4-[(4-iodophenyl)-phenylmethyl]benzene
CID 138659961
1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-benzhydrylphenyl)benzene;ethane?
The IUPAC name of 1,4-bis(4-benzhydrylphenyl)benzene;ethane (CID 159665111) is 1,4-bis(4-benzhydrylphenyl)benzene;ethane.
What is the SMILES notation for 1,4-bis(4-benzhydrylphenyl)benzene;ethane?
The canonical SMILES for 1,4-bis(4-benzhydrylphenyl)benzene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(C(c2ccccc2)c2ccc(-c3ccc(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis(4-benzhydrylphenyl)benzene;ethane?
The InChIKey is MTHPHMZMLZPYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34.8C2H6/c1-5-13-37(14-6-1)43(38-15-7-2-8-16-38)41-29-25-35(26-30-41)33-21-23-34(24-22-33)36-27-31-42(32-28-36)44(39-17-9-3-10-18-39)40-19-11-4-12-20-40;8*1-2/h1-32,43-44H;8*1-2H3.
What are the key properties of 1,4-bis(4-benzhydrylphenyl)benzene;ethane?
1,4-bis(4-benzhydrylphenyl)benzene;ethane has a molecular weight of 803.32 g/mol, XLogP of 19.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-benzhydrylphenyl)benzene;ethane is sourced from PubChem (CID 159665111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).