2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine

C63H57N3 — CID 140904462

IUPAC2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)c4)C4CCC3CC4)nc2)cc1
InChIInChI=1S/C63H57N3/c1-4-10-40(11-5-1)49-28-33-57(66-37-49)63-48-26-24-47(25-27-48)62(63)54-35-52(60-45-20-16-43(17-21-45)58(60)50-29-31-55(64-38-50)41-12-6-2-7-13-41)34-53(36-54)61-46-22-18-44(19-23-46)59(61)51-30-32-56(65-39-51)42-14-8-3-9-15-42/h1-15,28-39,43-48H,16-27H2
InChIKeyLDIDYYUGLVQCIB-UHFFFAOYSA-N
MW856.17 g/mol
LogP16.07
Rot. Bonds9

About 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine

2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine (PubChem CID 140904462) has the molecular formula C63H57N3 and a molecular weight of 856.17 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine
PubChem CID140904462
Molecular FormulaC63H57N3
Molecular Weight856.17 g/mol
Exact Mass855.46
IUPAC Name2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)c4)C4CCC3CC4)nc2)cc1
InChIInChI=1S/C63H57N3/c1-4-10-40(11-5-1)49-28-33-57(66-37-49)63-48-26-24-47(25-27-48)62(63)54-35-52(60-45-20-16-43(17-21-45)58(60)50-29-31-55(64-38-50)41-12-6-2-7-13-41)34-53(36-54)61-46-22-18-44(19-23-46)59(61)51-30-32-56(65-39-51)42-14-8-3-9-15-42/h1-15,28-39,43-48H,16-27H2
InChIKeyLDIDYYUGLVQCIB-UHFFFAOYSA-N
XLogP16.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.17
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine with MolForge

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Related Compounds

2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine
CID 140904764
4-(5-phenyl-2-pyridinyl)aniline
CID 129035533
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-(6-phenyl-3-pyridinyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142734263
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2,4-diphenyl-6-[3-[4-(6-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380937
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
9,9-dimethyl-2,7-bis(6-phenyl-3-pyridinyl)-10H-acridine
CID 141492915
2-phenyl-4-(4-phenylphenyl)-6-[3-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-3-pyridinyl]phenyl]-1,3,5-triazine
CID 171832611

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine?
The IUPAC name of 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine (CID 140904462) is 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine.
What is the SMILES notation for 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine?
The canonical SMILES for 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine is c1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)cc(C5=C(c6ccc(-c7ccccc7)nc6)C6CCC5CC6)c4)C4CCC3CC4)nc2)cc1.
What is the InChIKey of 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine?
The InChIKey is LDIDYYUGLVQCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H57N3/c1-4-10-40(11-5-1)49-28-33-57(66-37-49)63-48-26-24-47(25-27-48)62(63)54-35-52(60-45-20-16-43(17-21-45)58(60)50-29-31-55(64-38-50)41-12-6-2-7-13-41)34-53(36-54)61-46-22-18-44(19-23-46)59(61)51-30-32-56(65-39-51)42-14-8-3-9-15-42/h1-15,28-39,43-48H,16-27H2.
What are the key properties of 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine?
2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine has a molecular weight of 856.17 g/mol, XLogP of 16.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis[3-(6-phenyl-3-pyridinyl)-2-bicyclo[2.2.2]oct-2-enyl]phenyl]-2-bicyclo[2.2.2]oct-2-enyl]-5-phenylpyridine is sourced from PubChem (CID 140904462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).