2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline

C125H100N6O3 — CID 157126311

IUPAC2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline
SMILESC1=CC(c2ccccc2)=C(c2ccc3ccccc3n2)CC1.COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccn2)cc1.COc1ccc(-c2ccccc2-c2ccccn2)cc1.Cc1cc(-c2ccccc2)c(-c2ccccn2)c(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1-c1ccccc1.c1ccc(-c2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C25H21NO2.C24H19N.C21H17N.C19H13N.C18H15NO.C18H15N/c1-27-20-13-9-18(10-14-20)22-6-5-7-23(19-11-15-21(28-2)16-12-19)25(22)24-8-3-4-17-26-24;1-18-16-21(19-10-4-2-5-11-19)24(23-14-8-9-15-25-23)22(17-18)20-12-6-3-7-13-20;1-2-8-16(9-3-1)18-11-5-6-12-19(18)21-15-14-17-10-4-7-13-20(17)22-21;1-2-6-14(7-3-1)17-10-4-8-15-11-12-16-9-5-13-20-19(16)18(15)17;1-20-15-11-9-14(10-12-15)16-6-2-3-7-17(16)18-8-4-5-13-19-18;1-14-8-7-13-19-18(14)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h3-17H,1-2H3;2-17H,1H3;1-5,7-11,13-15H,6,12H2;1-13H;2-13H,1H3;2-13H,1H3
InChIKeyAINUATALTXVEGN-UHFFFAOYSA-N
MW1734.21 g/mol
LogP32.19
Rot. Bonds16

About 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline

2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline (PubChem CID 157126311) has the molecular formula C125H100N6O3 and a molecular weight of 1734.21 g/mol. Its IUPAC name is 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline.

Molecular Properties

Compound Name2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline
PubChem CID157126311
Molecular FormulaC125H100N6O3
Molecular Weight1734.21 g/mol
Exact Mass1732.79
IUPAC Name2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline
SMILESC1=CC(c2ccccc2)=C(c2ccc3ccccc3n2)CC1.COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccn2)cc1.COc1ccc(-c2ccccc2-c2ccccn2)cc1.Cc1cc(-c2ccccc2)c(-c2ccccn2)c(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1-c1ccccc1.c1ccc(-c2cccc3ccc4cccnc4c23)cc1
InChIInChI=1S/C25H21NO2.C24H19N.C21H17N.C19H13N.C18H15NO.C18H15N/c1-27-20-13-9-18(10-14-20)22-6-5-7-23(19-11-15-21(28-2)16-12-19)25(22)24-8-3-4-17-26-24;1-18-16-21(19-10-4-2-5-11-19)24(23-14-8-9-15-25-23)22(17-18)20-12-6-3-7-13-20;1-2-8-16(9-3-1)18-11-5-6-12-19(18)21-15-14-17-10-4-7-13-20(17)22-21;1-2-6-14(7-3-1)17-10-4-8-15-11-12-16-9-5-13-20-19(16)18(15)17;1-20-15-11-9-14(10-12-15)16-6-2-3-7-17(16)18-8-4-5-13-19-18;1-14-8-7-13-19-18(14)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h3-17H,1-2H3;2-17H,1H3;1-5,7-11,13-15H,6,12H2;1-13H;2-13H,1H3;2-13H,1H3
InChIKeyAINUATALTXVEGN-UHFFFAOYSA-N
XLogP32.19
TPSA105.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001734.21
LogP ≤ 532.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline with MolForge

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Related Compounds

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-7-yl-ethyl)-amine
CID 10737264
2-(2-Isoquinolin-7-yloxyethyl)quinoline
CID 24946059
2-((2'-(Pyridin-4-yl)biphenyl-4-yloxy)methyl)quinoline
CID 44546588
4-[[4-[4-(2-Methoxy-3-pyridyl)-5,7-dimethyl-6-quinolyl]phenyl]methyl]morpholine
CID 126593959
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methoxyphenyl)quinolin-4-amine
CID 164614671
6,7-Dimethoxy-1-methyl-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
CID 74538930
6,7-Dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
CID 74539000
6,7-Dimethoxy-4-[(7-methylquinolin-3-yl)methyl]-1-propylisoquinoline
CID 74539054
1-Cyclohexyl-6,7-dimethoxy-4-[(2-methylquinolin-6-yl)methyl]isoquinoline
CID 74539126
6,7-Dimethoxy-4-[(2-methylquinolin-6-yl)methyl]-1-phenylisoquinoline
CID 74539128
1-Butyl-6,7-dimethoxy-4-[(7-methylquinolin-3-yl)methyl]isoquinoline
CID 74539873
Hydroquinine 9-phenanthryl ether
CID 10994730

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline?
The IUPAC name of 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline (CID 157126311) is 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline.
What is the SMILES notation for 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline?
The canonical SMILES for 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline is C1=CC(c2ccccc2)=C(c2ccc3ccccc3n2)CC1.COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccn2)cc1.COc1ccc(-c2ccccc2-c2ccccn2)cc1.Cc1cc(-c2ccccc2)c(-c2ccccn2)c(-c2ccccc2)c1.Cc1cccnc1-c1ccccc1-c1ccccc1.c1ccc(-c2cccc3ccc4cccnc4c23)cc1.
What is the InChIKey of 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline?
The InChIKey is AINUATALTXVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2.C24H19N.C21H17N.C19H13N.C18H15NO.C18H15N/c1-27-20-13-9-18(10-14-20)22-6-5-7-23(19-11-15-21(28-2)16-12-19)25(22)24-8-3-4-17-26-24;1-18-16-21(19-10-4-2-5-11-19)24(23-14-8-9-15-25-23)22(17-18)20-12-6-3-7-13-20;1-2-8-16(9-3-1)18-11-5-6-12-19(18)21-15-14-17-10-4-7-13-20(17)22-21;1-2-6-14(7-3-1)17-10-4-8-15-11-12-16-9-5-13-20-19(16)18(15)17;1-20-15-11-9-14(10-12-15)16-6-2-3-7-17(16)18-8-4-5-13-19-18;1-14-8-7-13-19-18(14)17-12-6-5-11-16(17)15-9-3-2-4-10-15/h3-17H,1-2H3;2-17H,1H3;1-5,7-11,13-15H,6,12H2;1-13H;2-13H,1H3;2-13H,1H3.
What are the key properties of 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline?
2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline has a molecular weight of 1734.21 g/mol, XLogP of 32.19, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-methoxyphenyl)phenyl]pyridine;2-[2-(4-methoxyphenyl)phenyl]pyridine;2-(4-methyl-2,6-diphenylphenyl)pyridine;3-methyl-2-(2-phenylphenyl)pyridine;10-phenylbenzo[h]quinoline;2-(2-phenylcyclohexa-1,3-dien-1-yl)quinoline is sourced from PubChem (CID 157126311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).