2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine

C54H45N3 — CID 140904764

IUPAC2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)c4)CCC3)nc2)cc1
InChIInChI=1S/C54H45N3/c1-4-13-37(14-5-1)40-25-30-54(57-34-40)51-24-12-23-50(51)45-32-43(48-21-10-19-46(48)41-26-28-52(55-35-41)38-15-6-2-7-16-38)31-44(33-45)49-22-11-20-47(49)42-27-29-53(56-36-42)39-17-8-3-9-18-39/h1-9,13-18,25-36H,10-12,19-24H2
InChIKeyKSIZHERUJZQLOC-UHFFFAOYSA-N
MW735.98 g/mol
LogP14.16
Rot. Bonds9

About 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine

2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine (PubChem CID 140904764) has the molecular formula C54H45N3 and a molecular weight of 735.98 g/mol. Its IUPAC name is 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine
PubChem CID140904764
Molecular FormulaC54H45N3
Molecular Weight735.98 g/mol
Exact Mass735.36
IUPAC Name2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)c4)CCC3)nc2)cc1
InChIInChI=1S/C54H45N3/c1-4-13-37(14-5-1)40-25-30-54(57-34-40)51-24-12-23-50(51)45-32-43(48-21-10-19-46(48)41-26-28-52(55-35-41)38-15-6-2-7-16-38)31-44(33-45)49-22-11-20-47(49)42-27-29-53(56-36-42)39-17-8-3-9-18-39/h1-9,13-18,25-36H,10-12,19-24H2
InChIKeyKSIZHERUJZQLOC-UHFFFAOYSA-N
XLogP14.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.98
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine?
The IUPAC name of 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine (CID 140904764) is 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine.
What is the SMILES notation for 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine?
The canonical SMILES for 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine is c1ccc(-c2ccc(C3=C(c4cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)cc(C5=C(c6ccc(-c7ccccc7)nc6)CCC5)c4)CCC3)nc2)cc1.
What is the InChIKey of 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine?
The InChIKey is KSIZHERUJZQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N3/c1-4-13-37(14-5-1)40-25-30-54(57-34-40)51-24-12-23-50(51)45-32-43(48-21-10-19-46(48)41-26-28-52(55-35-41)38-15-6-2-7-16-38)31-44(33-45)49-22-11-20-47(49)42-27-29-53(56-36-42)39-17-8-3-9-18-39/h1-9,13-18,25-36H,10-12,19-24H2.
What are the key properties of 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine?
2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine has a molecular weight of 735.98 g/mol, XLogP of 14.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)cyclopenten-1-yl]phenyl]cyclopenten-1-yl]-5-phenylpyridine is sourced from PubChem (CID 140904764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).