4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

C63H51N3 — CID 134191341

IUPAC4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1C
InChIInChI=1S/C63H51N3/c1-40-34-58(46-22-10-7-11-23-46)64-37-55(40)49-28-16-19-31-52(49)61-43(4)62(53-32-20-17-29-50(53)56-38-65-59(35-41(56)2)47-24-12-8-13-25-47)45(6)63(44(61)5)54-33-21-18-30-51(54)57-39-66-60(36-42(57)3)48-26-14-9-15-27-48/h7-39H,1-6H3
InChIKeyXANCECNWTIDJIW-UHFFFAOYSA-N
MW850.12 g/mol
LogP16.73
Rot. Bonds9

About 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine

4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 134191341) has the molecular formula C63H51N3 and a molecular weight of 850.12 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
PubChem CID134191341
Molecular FormulaC63H51N3
Molecular Weight850.12 g/mol
Exact Mass849.41
IUPAC Name4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1C
InChIInChI=1S/C63H51N3/c1-40-34-58(46-22-10-7-11-23-46)64-37-55(40)49-28-16-19-31-52(49)61-43(4)62(53-32-20-17-29-50(53)56-38-65-59(35-41(56)2)47-24-12-8-13-25-47)45(6)63(44(61)5)54-33-21-18-30-51(54)57-39-66-60(36-42(57)3)48-26-14-9-15-27-48/h7-39H,1-6H3
InChIKeyXANCECNWTIDJIW-UHFFFAOYSA-N
XLogP16.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.12
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
iridium;tris(4-methyl-2,5-diphenylpyridine)
CID 158257140
5-(2-bromophenyl)-4-methyl-2-phenylpyridine
CID 122487761
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
2-phenyl-5-[2-[3-[2-[6-[3-(3-phenylphenyl)phenyl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153458053
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
CID 142521070
5-(1-methoxyethenyl)-4-methyl-2-phenylpyridine
CID 177154031
benzene;5-[2-[3-bromo-5-[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methyl-4-phenylpyridine;ethane
CID 145132481
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine (CID 134191341) is 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c(C)c(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1C.
What is the InChIKey of 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is XANCECNWTIDJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N3/c1-40-34-58(46-22-10-7-11-23-46)64-37-55(40)49-28-16-19-31-52(49)61-43(4)62(53-32-20-17-29-50(53)56-38-65-59(35-41(56)2)47-24-12-8-13-25-47)45(6)63(44(61)5)54-33-21-18-30-51(54)57-39-66-60(36-42(57)3)48-26-14-9-15-27-48/h7-39H,1-6H3.
What are the key properties of 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine?
4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 850.12 g/mol, XLogP of 16.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 134191341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).