2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

C73H55N3 — CID 165148975

IUPAC2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)c5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H55N3/c1-4-14-56(15-5-1)57-38-40-58(41-39-57)65-46-47-74-73(51-65)64-44-42-59(43-45-64)67-20-10-11-21-68(67)66-49-54(28-26-52-30-34-62(35-31-52)71-24-12-22-69(75-71)60-16-6-2-7-17-60)48-55(50-66)29-27-53-32-36-63(37-33-53)72-25-13-23-70(76-72)61-18-8-3-9-19-61/h1-25,30-51H,26-29H2
InChIKeyQFSIGPKPHWCOBT-UHFFFAOYSA-N
MW974.26 g/mol
LogP18.44
Rot. Bonds15

About 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine

2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 165148975) has the molecular formula C73H55N3 and a molecular weight of 974.26 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
PubChem CID165148975
Molecular FormulaC73H55N3
Molecular Weight974.26 g/mol
Exact Mass973.44
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)c5)cc4)c3)cc2)cc1
InChIInChI=1S/C73H55N3/c1-4-14-56(15-5-1)57-38-40-58(41-39-57)65-46-47-74-73(51-65)64-44-42-59(43-45-64)67-20-10-11-21-68(67)66-49-54(28-26-52-30-34-62(35-31-52)71-24-12-22-69(75-71)60-16-6-2-7-17-60)48-55(50-66)29-27-53-32-36-63(37-33-53)72-25-13-23-70(76-72)61-18-8-3-9-19-61/h1-25,30-51H,26-29H2
InChIKeyQFSIGPKPHWCOBT-UHFFFAOYSA-N
XLogP18.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.26
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
CID 139429234
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-[4-(3-phenylphenyl)phenyl]pyridine;iridium(3+)
CID 165148822
2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine
CID 176729035
8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
CID 165148897
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
CID 176729025
2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
CID 171448310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine (CID 165148975) is 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5ccccc5-c5cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)cc(CCc6ccc(-c7cccc(-c8ccccc8)n7)cc6)c5)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is QFSIGPKPHWCOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H55N3/c1-4-14-56(15-5-1)57-38-40-58(41-39-57)65-46-47-74-73(51-65)64-44-42-59(43-45-64)67-20-10-11-21-68(67)66-49-54(28-26-52-30-34-62(35-31-52)71-24-12-22-69(75-71)60-16-6-2-7-17-60)48-55(50-66)29-27-53-32-36-63(37-33-53)72-25-13-23-70(76-72)61-18-8-3-9-19-61/h1-25,30-51H,26-29H2.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine?
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 974.26 g/mol, XLogP of 18.44, 15 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-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 165148975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).