4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine

C46H36N2O2 — CID 134955231

IUPAC4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccncc3)c3ccncc3)c3ccccc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C46H36N2O2/c1-49-41-21-17-37(18-22-41)45(38-19-23-42(50-2)24-20-38)43(33-9-5-3-6-10-33)35-13-15-36(16-14-35)44(34-11-7-4-8-12-34)46(39-25-29-47-30-26-39)40-27-31-48-32-28-40/h3-32H,1-2H3
InChIKeyWNADZMRRELZCDZ-UHFFFAOYSA-N
MW648.81 g/mol
LogP10.51
Rot. Bonds10

About 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine

4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine (PubChem CID 134955231) has the molecular formula C46H36N2O2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Name4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine
PubChem CID134955231
Molecular FormulaC46H36N2O2
Molecular Weight648.81 g/mol
Exact Mass648.28
IUPAC Name4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccncc3)c3ccncc3)c3ccccc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C46H36N2O2/c1-49-41-21-17-37(18-22-41)45(38-19-23-42(50-2)24-20-38)43(33-9-5-3-6-10-33)35-13-15-36(16-14-35)44(34-11-7-4-8-12-34)46(39-25-29-47-30-26-39)40-27-31-48-32-28-40/h3-32H,1-2H3
InChIKeyWNADZMRRELZCDZ-UHFFFAOYSA-N
XLogP10.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CID 25034426
4-(6-Methoxy-3-methylnaphthalen-2-yl)isoquinoline
CID 25034427
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine
CID 44586852
4-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540055
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine?
The IUPAC name of 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine (CID 134955231) is 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine is COc1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccncc3)c3ccncc3)c3ccccc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine?
The InChIKey is WNADZMRRELZCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O2/c1-49-41-21-17-37(18-22-41)45(38-19-23-42(50-2)24-20-38)43(33-9-5-3-6-10-33)35-13-15-36(16-14-35)44(34-11-7-4-8-12-34)46(39-25-29-47-30-26-39)40-27-31-48-32-28-40/h3-32H,1-2H3.
What are the key properties of 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine?
4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine has a molecular weight of 648.81 g/mol, XLogP of 10.51, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-phenyl-1-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 134955231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).