2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

C67H49N5 — CID 153458259

IUPAC2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESCn1ccnc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc3)cc(-c3ccccc3-c3ccc(-c4nccn4C)cc3)c2)cc1
InChIInChI=1S/C67H49N5/c1-71-40-38-69-66(71)53-32-26-50(27-33-53)60-15-7-10-18-63(60)57-42-56(43-58(44-57)64-19-11-8-16-61(64)51-28-34-54(35-29-51)67-70-39-41-72(67)2)62-17-9-6-14-59(62)49-24-30-52(31-25-49)65-45-55(36-37-68-65)48-22-20-47(21-23-48)46-12-4-3-5-13-46/h3-45H,1-2H3
InChIKeyUPANNKODDRXLRZ-UHFFFAOYSA-N
MW924.16 g/mol
LogP16.89
Rot. Bonds11

About 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 153458259) has the molecular formula C67H49N5 and a molecular weight of 924.16 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
PubChem CID153458259
Molecular FormulaC67H49N5
Molecular Weight924.16 g/mol
Exact Mass923.40
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESCn1ccnc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc3)cc(-c3ccccc3-c3ccc(-c4nccn4C)cc3)c2)cc1
InChIInChI=1S/C67H49N5/c1-71-40-38-69-66(71)53-32-26-50(27-33-53)60-15-7-10-18-63(60)57-42-56(43-58(44-57)64-19-11-8-16-61(64)51-28-34-54(35-29-51)67-70-39-41-72(67)2)62-17-9-6-14-59(62)49-24-30-52(31-25-49)65-45-55(36-37-68-65)48-22-20-47(21-23-48)46-12-4-3-5-13-46/h3-45H,1-2H3
InChIKeyUPANNKODDRXLRZ-UHFFFAOYSA-N
XLogP16.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
CID 153458018
ethane;1-methyl-2-phenylimidazole
CID 142155183
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 166806235
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967
4-tert-butyl-2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]cyclohexyl]phenyl]phenyl]pyridine
CID 146184057
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-methyl-2-[2-methyl-3-(2-methyl-5-phenylphenyl)phenyl]imidazole
CID 138747004
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (CID 153458259) is 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is Cn1ccnc1-c1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc3)cc(-c3ccccc3-c3ccc(-c4nccn4C)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is UPANNKODDRXLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5/c1-71-40-38-69-66(71)53-32-26-50(27-33-53)60-15-7-10-18-63(60)57-42-56(43-58(44-57)64-19-11-8-16-61(64)51-28-34-54(35-29-51)67-70-39-41-72(67)2)62-17-9-6-14-59(62)49-24-30-52(31-25-49)65-45-55(36-37-68-65)48-22-20-47(21-23-48)46-12-4-3-5-13-46/h3-45H,1-2H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 924.16 g/mol, XLogP of 16.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 153458259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).