2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine

C67H55N3 — CID 164776219

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(C4CCCC4c4ccc(-c5ccccn5)cc4)cc(C4CCCC4c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H55N3/c1-2-14-46(15-3-1)47-25-27-50(28-26-47)64-45-53(67-24-8-11-41-70-67)37-38-63(64)62-17-5-4-16-61(62)56-43-54(59-20-12-18-57(59)48-29-33-51(34-30-48)65-22-6-9-39-68-65)42-55(44-56)60-21-13-19-58(60)49-31-35-52(36-32-49)66-23-7-10-40-69-66/h1-11,14-17,22-45,57-60H,12-13,18-21H2
InChIKeyHYWRGPNJGJBJRF-UHFFFAOYSA-N
MW902.20 g/mol
LogP17.64
Rot. Bonds11

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine (PubChem CID 164776219) has the molecular formula C67H55N3 and a molecular weight of 902.20 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
PubChem CID164776219
Molecular FormulaC67H55N3
Molecular Weight902.20 g/mol
Exact Mass901.44
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(C4CCCC4c4ccc(-c5ccccn5)cc4)cc(C4CCCC4c4ccc(-c5ccccn5)cc4)c3)cc2)cc1
InChIInChI=1S/C67H55N3/c1-2-14-46(15-3-1)47-25-27-50(28-26-47)64-45-53(67-24-8-11-41-70-67)37-38-63(64)62-17-5-4-16-61(62)56-43-54(59-20-12-18-57(59)48-29-33-51(34-30-48)65-22-6-9-39-68-65)42-55(44-56)60-21-13-19-58(60)49-31-35-52(36-32-49)66-23-7-10-40-69-66/h1-11,14-17,22-45,57-60H,12-13,18-21H2
InChIKeyHYWRGPNJGJBJRF-UHFFFAOYSA-N
XLogP17.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.20
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
CID 153458494
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-methoxyphenyl]pyridine
CID 142438981
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine (CID 164776219) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine is c1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(C4CCCC4c4ccc(-c5ccccn5)cc4)cc(C4CCCC4c4ccc(-c5ccccn5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
The InChIKey is HYWRGPNJGJBJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55N3/c1-2-14-46(15-3-1)47-25-27-50(28-26-47)64-45-53(67-24-8-11-41-70-67)37-38-63(64)62-17-5-4-16-61(62)56-43-54(59-20-12-18-57(59)48-29-33-51(34-30-48)65-22-6-9-39-68-65)42-55(44-56)60-21-13-19-58(60)49-31-35-52(36-32-49)66-23-7-10-40-69-66/h1-11,14-17,22-45,57-60H,12-13,18-21H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine has a molecular weight of 902.20 g/mol, XLogP of 17.64, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)cyclopentyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine is sourced from PubChem (CID 164776219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).