1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene

C123H98N2 — CID 157324380

IUPAC1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1c(-c2ccccn2)cccc1-c1ccccn1.Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C31H24.3C25H20.C17H14N2/c1-23-18-30(28-16-8-14-26(20-28)24-10-4-2-5-11-24)22-31(19-23)29-17-9-15-27(21-29)25-12-6-3-7-13-25;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-14(16-9-2-4-11-18-16)7-6-8-15(13)17-10-3-5-12-19-17/h2-22H,1H3;3*2-18H,1H3;2-12H,1H3
InChIKeyBENRDDHAHXFWBE-UHFFFAOYSA-N
MW1604.15 g/mol
LogP33.77
Rot. Bonds15

About 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene

1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene (PubChem CID 157324380) has the molecular formula C123H98N2 and a molecular weight of 1604.15 g/mol. Its IUPAC name is 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene.

Molecular Properties

Compound Name1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene
PubChem CID157324380
Molecular FormulaC123H98N2
Molecular Weight1604.15 g/mol
Exact Mass1602.77
IUPAC Name1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1c(-c2ccccn2)cccc1-c1ccccn1.Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C31H24.3C25H20.C17H14N2/c1-23-18-30(28-16-8-14-26(20-28)24-10-4-2-5-11-24)22-31(19-23)29-17-9-15-27(21-29)25-12-6-3-7-13-25;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-14(16-9-2-4-11-18-16)7-6-8-15(13)17-10-3-5-12-19-17/h2-22H,1H3;3*2-18H,1H3;2-12H,1H3
InChIKeyBENRDDHAHXFWBE-UHFFFAOYSA-N
XLogP33.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001604.15
LogP ≤ 533.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene?
The IUPAC name of 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene (CID 157324380) is 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene.
What is the SMILES notation for 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene?
The canonical SMILES for 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene is Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1c(-c2ccccn2)cccc1-c1ccccn1.Cc1cc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc(-c3ccccc3)c2)c1.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.Cc1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene?
The InChIKey is BENRDDHAHXFWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24.3C25H20.C17H14N2/c1-23-18-30(28-16-8-14-26(20-28)24-10-4-2-5-11-24)22-31(19-23)29-17-9-15-27(21-29)25-12-6-3-7-13-25;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-19-9-8-14-22(15-19)25-17-23(20-10-4-2-5-11-20)16-24(18-25)21-12-6-3-7-13-21;1-19-12-14-22(15-13-19)25-17-23(20-8-4-2-5-9-20)16-24(18-25)21-10-6-3-7-11-21;1-13-14(16-9-2-4-11-18-16)7-6-8-15(13)17-10-3-5-12-19-17/h2-22H,1H3;3*2-18H,1H3;2-12H,1H3.
What are the key properties of 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene?
1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene has a molecular weight of 1604.15 g/mol, XLogP of 33.77, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(3-phenylphenyl)benzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene;2-(2-methyl-3-pyridin-2-ylphenyl)pyridine;2-methyl-1,3,5-triphenylbenzene is sourced from PubChem (CID 157324380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).