2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine

C38H29N — CID 163572145

IUPAC2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccn7)c6)c5)c4)cc3)CC2)cc1
InChIInChI=1S/C38H29N/c1-2-15-35(16-3-1)38(22-23-38)36-20-18-28(19-21-36)29-9-6-10-30(25-29)31-11-7-12-32(26-31)33-13-8-14-34(27-33)37-17-4-5-24-39-37/h1-21,24-27H,22-23H2
InChIKeyPQOOPRMGWGKHCP-UHFFFAOYSA-N
MW499.66 g/mol
LogP9.83
Rot. Bonds6

About 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine

2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 163572145) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
PubChem CID163572145
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC Name2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
SMILESc1ccc(C2(c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccn7)c6)c5)c4)cc3)CC2)cc1
InChIInChI=1S/C38H29N/c1-2-15-35(16-3-1)38(22-23-38)36-20-18-28(19-21-36)29-9-6-10-30(25-29)31-11-7-12-32(26-31)33-13-8-14-34(27-33)37-17-4-5-24-39-37/h1-21,24-27H,22-23H2
InChIKeyPQOOPRMGWGKHCP-UHFFFAOYSA-N
XLogP9.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(1,1-Diphenylethyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine (CID 163572145) is 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine is c1ccc(C2(c3ccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccn7)c6)c5)c4)cc3)CC2)cc1.
What is the InChIKey of 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is PQOOPRMGWGKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-2-15-35(16-3-1)38(22-23-38)36-20-18-28(19-21-36)29-9-6-10-30(25-29)31-11-7-12-32(26-31)33-13-8-14-34(27-33)37-17-4-5-24-39-37/h1-21,24-27H,22-23H2.
What are the key properties of 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine?
2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 499.66 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 163572145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).