2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine

C70H71ClN2 — CID 134313289

IUPAC2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cn5)cc4)c3)cc2)ncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C70H71ClN2/c1-44-31-65(72-42-63(44)52-34-54(67(3,4)5)40-55(35-52)68(6,7)8)48-27-23-46(24-28-48)59-19-15-17-21-61(59)50-33-51(39-58(71)38-50)62-22-18-16-20-60(62)47-25-29-49(30-26-47)66-32-45(2)64(43-73-66)53-36-56(69(9,10)11)41-57(37-53)70(12,13)14/h15-43H,1-14H3
InChIKeyTXFUYXCXEVTCTB-UHFFFAOYSA-N
MW975.81 g/mol
LogP20.27
Rot. Bonds8

About 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine

2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine (PubChem CID 134313289) has the molecular formula C70H71ClN2 and a molecular weight of 975.81 g/mol. Its IUPAC name is 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine
PubChem CID134313289
Molecular FormulaC70H71ClN2
Molecular Weight975.81 g/mol
Exact Mass974.53
IUPAC Name2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cn5)cc4)c3)cc2)ncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C70H71ClN2/c1-44-31-65(72-42-63(44)52-34-54(67(3,4)5)40-55(35-52)68(6,7)8)48-27-23-46(24-28-48)59-19-15-17-21-61(59)50-33-51(39-58(71)38-50)62-22-18-16-20-60(62)47-25-29-49(30-26-47)66-32-45(2)64(43-73-66)53-36-56(69(9,10)11)41-57(37-53)70(12,13)14/h15-43H,1-14H3
InChIKeyTXFUYXCXEVTCTB-UHFFFAOYSA-N
XLogP20.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.81
LogP ≤ 520.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine (CID 134313289) is 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(Cl)cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cn5)cc4)c3)cc2)ncc1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine?
The InChIKey is TXFUYXCXEVTCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H71ClN2/c1-44-31-65(72-42-63(44)52-34-54(67(3,4)5)40-55(35-52)68(6,7)8)48-27-23-46(24-28-48)59-19-15-17-21-61(59)50-33-51(39-58(71)38-50)62-22-18-16-20-60(62)47-25-29-49(30-26-47)66-32-45(2)64(43-73-66)53-36-56(69(9,10)11)41-57(37-53)70(12,13)14/h15-43H,1-14H3.
What are the key properties of 2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine?
2-[4-[2-[3-chloro-5-[2-[4-[5-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine has a molecular weight of 975.81 g/mol, XLogP of 20.27, 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-(3,5-ditert-butylphenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(3,5-ditert-butylphenyl)-4-methylpyridine is sourced from PubChem (CID 134313289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).