5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine

C40H27ClN2 — CID 126638823

IUPAC5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine
SMILESClc1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C40H27ClN2/c41-34-24-32(37-17-9-7-15-35(37)30-19-21-39(42-26-30)28-11-3-1-4-12-28)23-33(25-34)38-18-10-8-16-36(38)31-20-22-40(43-27-31)29-13-5-2-6-14-29/h1-27H
InChIKeyCSTRFFQMLZWGGW-UHFFFAOYSA-N
MW571.12 g/mol
LogP11.13
Rot. Bonds6

About 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine

5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine (PubChem CID 126638823) has the molecular formula C40H27ClN2 and a molecular weight of 571.12 g/mol. Its IUPAC name is 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine
PubChem CID126638823
Molecular FormulaC40H27ClN2
Molecular Weight571.12 g/mol
Exact Mass570.19
IUPAC Name5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine
SMILESClc1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C40H27ClN2/c41-34-24-32(37-17-9-7-15-35(37)30-19-21-39(42-26-30)28-11-3-1-4-12-28)23-33(25-34)38-18-10-8-16-36(38)31-20-22-40(43-27-31)29-13-5-2-6-14-29/h1-27H
InChIKeyCSTRFFQMLZWGGW-UHFFFAOYSA-N
XLogP11.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.12
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine?
The IUPAC name of 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine (CID 126638823) is 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine.
What is the SMILES notation for 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine?
The canonical SMILES for 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine is Clc1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine?
The InChIKey is CSTRFFQMLZWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27ClN2/c41-34-24-32(37-17-9-7-15-35(37)30-19-21-39(42-26-30)28-11-3-1-4-12-28)23-33(25-34)38-18-10-8-16-36(38)31-20-22-40(43-27-31)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine?
5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine has a molecular weight of 571.12 g/mol, XLogP of 11.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-chloro-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine is sourced from PubChem (CID 126638823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).