ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene

C62H86 — CID 160759704

IUPACethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H24.C21H20.7C2H6/c1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;7*1-2/h3-20H,1-2H3;3-15,21H,1-2H3;7*1-2H3
InChIKeyRXWYDMFLOXBSAB-UHFFFAOYSA-N
MW831.37 g/mol
LogP19.35
Rot. Bonds7

About ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene

ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene (PubChem CID 160759704) has the molecular formula C62H86 and a molecular weight of 831.37 g/mol. Its IUPAC name is ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
PubChem CID160759704
Molecular FormulaC62H86
Molecular Weight831.37 g/mol
Exact Mass830.67
IUPAC Nameethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene
SMILESCC.CC.CC.CC.CC.CC.CC.Cc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H24.C21H20.7C2H6/c1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;7*1-2/h3-20H,1-2H3;3-15,21H,1-2H3;7*1-2H3
InChIKeyRXWYDMFLOXBSAB-UHFFFAOYSA-N
XLogP19.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.37
LogP ≤ 519.35
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-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
1,4-bis(4-benzhydrylphenyl)benzene;ethane
CID 159665111
1-benzhydryl-4-methylbenzene;1,1'-biphenyl;ethane;1-phenylethylbenzene
CID 161255951
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
tris(tert-butylbenzene);ethane;toluene
CID 158234120
difluoro-[4-[(4-methylphenyl)-phenylmethyl]phenyl]borane
CID 174243886
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623
1-methoxy-2-[[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]-diphenylmethyl]benzene
CID 123600060
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 7127648

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene?
The IUPAC name of ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene (CID 160759704) is ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene.
What is the SMILES notation for ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene?
The canonical SMILES for ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene is CC.CC.CC.CC.CC.CC.CC.Cc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene?
The InChIKey is RXWYDMFLOXBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24.C21H20.7C2H6/c1-21-13-17-25(18-14-21)27(23-9-5-3-6-10-23,24-11-7-4-8-12-24)26-19-15-22(2)16-20-26;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;7*1-2/h3-20H,1-2H3;3-15,21H,1-2H3;7*1-2H3.
What are the key properties of ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene?
ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene has a molecular weight of 831.37 g/mol, XLogP of 19.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene;1-methyl-4-[(4-methylphenyl)-phenylmethyl]benzene is sourced from PubChem (CID 160759704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).