2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C55H46F2N2 — CID 139407414

IUPAC2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(C)cc(C2(c3c(-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cccc3-c3ccc(-c4cc(C)c(-c5ccc(F)cc5)cn4)cc3)CCCC2)c1
InChIInChI=1S/C55H46F2N2/c1-35-28-36(2)30-45(29-35)55(26-5-6-27-55)54-48(39-10-14-43(15-11-39)52-31-37(3)50(33-58-52)41-18-22-46(56)23-19-41)8-7-9-49(54)40-12-16-44(17-13-40)53-32-38(4)51(34-59-53)42-20-24-47(57)25-21-42/h7-25,28-34H,5-6,26-27H2,1-4H3
InChIKeyAPDMPYDCBRQBOB-UHFFFAOYSA-N
MW772.98 g/mol
LogP14.85
Rot. Bonds8

About 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 139407414) has the molecular formula C55H46F2N2 and a molecular weight of 772.98 g/mol. Its IUPAC name is 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID139407414
Molecular FormulaC55H46F2N2
Molecular Weight772.98 g/mol
Exact Mass772.36
IUPAC Name2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(C)cc(C2(c3c(-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cccc3-c3ccc(-c4cc(C)c(-c5ccc(F)cc5)cn4)cc3)CCCC2)c1
InChIInChI=1S/C55H46F2N2/c1-35-28-36(2)30-45(29-35)55(26-5-6-27-55)54-48(39-10-14-43(15-11-39)52-31-37(3)50(33-58-52)41-18-22-46(56)23-19-41)8-7-9-49(54)40-12-16-44(17-13-40)53-32-38(4)51(34-59-53)42-20-24-47(57)25-21-42/h7-25,28-34H,5-6,26-27H2,1-4H3
InChIKeyAPDMPYDCBRQBOB-UHFFFAOYSA-N
XLogP14.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.98
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 139407414) is 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(C)cc(C2(c3c(-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cccc3-c3ccc(-c4cc(C)c(-c5ccc(F)cc5)cn4)cc3)CCCC2)c1.
What is the InChIKey of 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is APDMPYDCBRQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46F2N2/c1-35-28-36(2)30-45(29-35)55(26-5-6-27-55)54-48(39-10-14-43(15-11-39)52-31-37(3)50(33-58-52)41-18-22-46(56)23-19-41)8-7-9-49(54)40-12-16-44(17-13-40)53-32-38(4)51(34-59-53)42-20-24-47(57)25-21-42/h7-25,28-34H,5-6,26-27H2,1-4H3.
What are the key properties of 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 772.98 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(3,5-dimethylphenyl)cyclopentyl]-3-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 139407414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).