2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine

C44H35ClN2 — CID 134313361

IUPAC2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(Cl)cc(-c3cc(C)c(C)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1C
InChIInChI=1S/C44H35ClN2/c1-28-21-39(32-11-15-34(16-12-32)43-9-5-7-19-46-43)41(23-30(28)3)36-25-37(27-38(45)26-36)42-24-31(4)29(2)22-40(42)33-13-17-35(18-14-33)44-10-6-8-20-47-44/h5-27H,1-4H3
InChIKeyFOHULVCFYCFAKF-UHFFFAOYSA-N
MW627.23 g/mol
LogP12.37
Rot. Bonds6

About 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine

2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine (PubChem CID 134313361) has the molecular formula C44H35ClN2 and a molecular weight of 627.23 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
PubChem CID134313361
Molecular FormulaC44H35ClN2
Molecular Weight627.23 g/mol
Exact Mass626.25
IUPAC Name2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(Cl)cc(-c3cc(C)c(C)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1C
InChIInChI=1S/C44H35ClN2/c1-28-21-39(32-11-15-34(16-12-32)43-9-5-7-19-46-43)41(23-30(28)3)36-25-37(27-38(45)26-36)42-24-31(4)29(2)22-40(42)33-13-17-35(18-14-33)44-10-6-8-20-47-44/h5-27H,1-4H3
InChIKeyFOHULVCFYCFAKF-UHFFFAOYSA-N
XLogP12.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.23
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine (CID 134313361) is 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine is Cc1cc(-c2ccc(-c3ccccn3)cc2)c(-c2cc(Cl)cc(-c3cc(C)c(C)cc3-c3ccc(-c4ccccn4)cc3)c2)cc1C.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
The InChIKey is FOHULVCFYCFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35ClN2/c1-28-21-39(32-11-15-34(16-12-32)43-9-5-7-19-46-43)41(23-30(28)3)36-25-37(27-38(45)26-36)42-24-31(4)29(2)22-40(42)33-13-17-35(18-14-33)44-10-6-8-20-47-44/h5-27H,1-4H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine?
2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine has a molecular weight of 627.23 g/mol, XLogP of 12.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-chloro-5-[4,5-dimethyl-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-4,5-dimethylphenyl]phenyl]pyridine is sourced from PubChem (CID 134313361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).