2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine

C93H87N3 — CID 140838950

IUPAC2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
SMILESCc1cccc(C)c1-c1cc(-c2cc(C(C)(C)C)ccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)c1
InChIInChI=1S/C93H87N3/c1-58-25-22-26-59(2)88(58)82-52-64(85-55-70(43-46-94-85)91(7,8)9)37-40-79(82)76-34-19-16-31-73(76)67-49-68(74-32-17-20-35-77(74)80-41-38-65(86-56-71(44-47-95-86)92(10,11)12)53-83(80)89-60(3)27-23-28-61(89)4)51-69(50-67)75-33-18-21-36-78(75)81-42-39-66(87-57-72(45-48-96-87)93(13,14)15)54-84(81)90-62(5)29-24-30-63(90)6/h16-57H,1-15H3
InChIKeyKVESMTSUFPBGTE-UHFFFAOYSA-N
MW1246.74 g/mol
LogP25.62
Rot. Bonds12

About 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine

2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine (PubChem CID 140838950) has the molecular formula C93H87N3 and a molecular weight of 1246.74 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
PubChem CID140838950
Molecular FormulaC93H87N3
Molecular Weight1246.74 g/mol
Exact Mass1245.69
IUPAC Name2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
SMILESCc1cccc(C)c1-c1cc(-c2cc(C(C)(C)C)ccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)c1
InChIInChI=1S/C93H87N3/c1-58-25-22-26-59(2)88(58)82-52-64(85-55-70(43-46-94-85)91(7,8)9)37-40-79(82)76-34-19-16-31-73(76)67-49-68(74-32-17-20-35-77(74)80-41-38-65(86-56-71(44-47-95-86)92(10,11)12)53-83(80)89-60(3)27-23-28-61(89)4)51-69(50-67)75-33-18-21-36-78(75)81-42-39-66(87-57-72(45-48-96-87)93(13,14)15)54-84(81)90-62(5)29-24-30-63(90)6/h16-57H,1-15H3
InChIKeyKVESMTSUFPBGTE-UHFFFAOYSA-N
XLogP25.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.74
LogP ≤ 525.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine with MolForge

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Related Compounds

2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
2-[4-[2-[3,5-bis[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-phenylpyridine
CID 140838831
2-[3-bromo-4-[2-[4-[2-[2-bromo-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]phenyl]-4-tert-butylpyridine
CID 147125965
2-[4-[2-[3-[2-[6-[5-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-2-pyridinyl]-3-pyridinyl]phenyl]-5-[2-[4-(4-tert-butyl-2-pyridinyl)-2-dibenzofuran-1-ylphenyl]phenyl]phenyl]phenyl]-3-dibenzofuran-1-ylphenyl]-4-tert-butylpyridine
CID 153448961
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
4-(4-tert-butyl-2-pyridinyl)-19-methyl-8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaene
CID 168766397
1-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-methylphenyl]-8-tert-butylnaphtho[2,1-f]isoquinoline
CID 134191404
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-[4-[2-[3,5-bis[2-[2-(3-tert-butylphenyl)-4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]cyclohexyl]-5-tert-butylphenyl]-3-(3-tert-butylphenyl)phenyl]-4-tert-butylpyridine
CID 153439025
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
CID 171751482

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine (CID 140838950) is 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine is Cc1cccc(C)c1-c1cc(-c2cc(C(C)(C)C)ccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)cc(-c2ccccc2-c2ccc(-c3cc(C(C)(C)C)ccn3)cc2-c2c(C)cccc2C)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine?
The InChIKey is KVESMTSUFPBGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H87N3/c1-58-25-22-26-59(2)88(58)82-52-64(85-55-70(43-46-94-85)91(7,8)9)37-40-79(82)76-34-19-16-31-73(76)67-49-68(74-32-17-20-35-77(74)80-41-38-65(86-56-71(44-47-95-86)92(10,11)12)53-83(80)89-60(3)27-23-28-61(89)4)51-69(50-67)75-33-18-21-36-78(75)81-42-39-66(87-57-72(45-48-96-87)93(13,14)15)54-84(81)90-62(5)29-24-30-63(90)6/h16-57H,1-15H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine?
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine has a molecular weight of 1246.74 g/mol, XLogP of 25.62, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine is sourced from PubChem (CID 140838950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).