methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene

C46H42O — CID 160973980

IUPACmethane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
SMILESC.COc1ccc(C2=C(c3ccc(C)cc3)Cc3ccccc32)cc1.Cc1ccc(C2=C(c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C23H20O.C22H18.CH4/c1-16-7-9-17(10-8-16)22-15-19-5-3-4-6-21(19)23(22)18-11-13-20(24-2)14-12-18;1-16-11-13-17(14-12-16)21-15-19-9-5-6-10-20(19)22(21)18-7-3-2-4-8-18;/h3-14H,15H2,1-2H3;2-14H,15H2,1H3;1H4
InChIKeySYPVKDXCAATBQQ-UHFFFAOYSA-N
MW610.84 g/mol
LogP11.67
Rot. Bonds5

About methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene

methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene (PubChem CID 160973980) has the molecular formula C46H42O and a molecular weight of 610.84 g/mol. Its IUPAC name is methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene.

Molecular Properties

Compound Namemethane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
PubChem CID160973980
Molecular FormulaC46H42O
Molecular Weight610.84 g/mol
Exact Mass610.32
IUPAC Namemethane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene
SMILESC.COc1ccc(C2=C(c3ccc(C)cc3)Cc3ccccc32)cc1.Cc1ccc(C2=C(c3ccccc3)c3ccccc3C2)cc1
InChIInChI=1S/C23H20O.C22H18.CH4/c1-16-7-9-17(10-8-16)22-15-19-5-3-4-6-21(19)23(22)18-11-13-20(24-2)14-12-18;1-16-11-13-17(14-12-16)21-15-19-9-5-6-10-20(19)22(21)18-7-3-2-4-8-18;/h3-14H,15H2,1-2H3;2-14H,15H2,1H3;1H4
InChIKeySYPVKDXCAATBQQ-UHFFFAOYSA-N
XLogP11.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.84
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene?
The IUPAC name of methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene (CID 160973980) is methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene.
What is the SMILES notation for methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene?
The canonical SMILES for methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene is C.COc1ccc(C2=C(c3ccc(C)cc3)Cc3ccccc32)cc1.Cc1ccc(C2=C(c3ccccc3)c3ccccc3C2)cc1.
What is the InChIKey of methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene?
The InChIKey is SYPVKDXCAATBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O.C22H18.CH4/c1-16-7-9-17(10-8-16)22-15-19-5-3-4-6-21(19)23(22)18-11-13-20(24-2)14-12-18;1-16-11-13-17(14-12-16)21-15-19-9-5-6-10-20(19)22(21)18-7-3-2-4-8-18;/h3-14H,15H2,1-2H3;2-14H,15H2,1H3;1H4.
What are the key properties of methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene?
methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene has a molecular weight of 610.84 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(4-methoxyphenyl)-2-(4-methylphenyl)-1H-indene;2-(4-methylphenyl)-3-phenyl-1H-indene is sourced from PubChem (CID 160973980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).