2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C54H37ClF2N2 — CID 134225954

IUPAC2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C54H37ClF2N2/c1-34-27-53(58-32-51(34)38-19-23-45(56)24-20-38)40-15-11-36(12-16-40)47-7-3-5-9-49(47)42-29-43(31-44(55)30-42)50-10-6-4-8-48(50)37-13-17-41(18-14-37)54-28-35(2)52(33-59-54)39-21-25-46(57)26-22-39/h3-33H,1-2H3
InChIKeyHAJCWSSBZWEIMQ-UHFFFAOYSA-N
MW787.35 g/mol
LogP15.36
Rot. Bonds8

About 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 134225954) has the molecular formula C54H37ClF2N2 and a molecular weight of 787.35 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID134225954
Molecular FormulaC54H37ClF2N2
Molecular Weight787.35 g/mol
Exact Mass786.26
IUPAC Name2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C54H37ClF2N2/c1-34-27-53(58-32-51(34)38-19-23-45(56)24-20-38)40-15-11-36(12-16-40)47-7-3-5-9-49(47)42-29-43(31-44(55)30-42)50-10-6-4-8-48(50)37-13-17-41(18-14-37)54-28-35(2)52(33-59-54)39-21-25-46(57)26-22-39/h3-33H,1-2H3
InChIKeyHAJCWSSBZWEIMQ-UHFFFAOYSA-N
XLogP15.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.35
LogP ≤ 515.36
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-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 134225954) is 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is HAJCWSSBZWEIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37ClF2N2/c1-34-27-53(58-32-51(34)38-19-23-45(56)24-20-38)40-15-11-36(12-16-40)47-7-3-5-9-49(47)42-29-43(31-44(55)30-42)50-10-6-4-8-48(50)37-13-17-41(18-14-37)54-28-35(2)52(33-59-54)39-21-25-46(57)26-22-39/h3-33H,1-2H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 787.35 g/mol, XLogP of 15.36, 8 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-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 134225954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).