4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine

C83H59N3 — CID 155609116

IUPAC4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cc4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1
InChIInChI=1S/C83H59N3/c1-57-48-83(86-56-80(57)62-30-12-5-13-31-62)66-42-45-76(79(55-66)61-28-10-4-11-29-61)73-37-19-17-35-71(73)68-51-58(49-63-32-14-15-33-69(63)74-43-40-64(81-38-20-22-46-84-81)53-77(74)59-24-6-2-7-25-59)50-67(52-68)70-34-16-18-36-72(70)75-44-41-65(82-39-21-23-47-85-82)54-78(75)60-26-8-3-9-27-60/h2-48,50-56H,49H2,1H3
InChIKeyGUILWTVPUCTKAA-UHFFFAOYSA-N
MW1098.41 g/mol
LogP21.77
Rot. Bonds14

About 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine

4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine (PubChem CID 155609116) has the molecular formula C83H59N3 and a molecular weight of 1098.41 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine
PubChem CID155609116
Molecular FormulaC83H59N3
Molecular Weight1098.41 g/mol
Exact Mass1097.47
IUPAC Name4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(Cc4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1
InChIInChI=1S/C83H59N3/c1-57-48-83(86-56-80(57)62-30-12-5-13-31-62)66-42-45-76(79(55-66)61-28-10-4-11-29-61)73-37-19-17-35-71(73)68-51-58(49-63-32-14-15-33-69(63)74-43-40-64(81-38-20-22-46-84-81)53-77(74)59-24-6-2-7-25-59)50-67(52-68)70-34-16-18-36-72(70)75-44-41-65(82-39-21-23-47-85-82)54-78(75)60-26-8-3-9-27-60/h2-48,50-56H,49H2,1H3
InChIKeyGUILWTVPUCTKAA-UHFFFAOYSA-N
XLogP21.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.41
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine with MolForge

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Related Compounds

iridium(3+);4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]methyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 155609115
2-[4-[2-[3,5-bis[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-bromophenyl]-4-methyl-5-(3-phenylphenyl)pyridine
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2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
2-[3-phenyl-4-[2-[3-[2-[2-phenyl-4-[4-phenyl-3-(trideuteriomethyl)phenyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 156621495
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
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-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
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
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine (CID 155609116) is 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(Cc4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ncc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine?
The InChIKey is GUILWTVPUCTKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H59N3/c1-57-48-83(86-56-80(57)62-30-12-5-13-31-62)66-42-45-76(79(55-66)61-28-10-4-11-29-61)73-37-19-17-35-71(73)68-51-58(49-63-32-14-15-33-69(63)74-43-40-64(81-38-20-22-46-84-81)53-77(74)59-24-6-2-7-25-59)50-67(52-68)70-34-16-18-36-72(70)75-44-41-65(82-39-21-23-47-85-82)54-78(75)60-26-8-3-9-27-60/h2-48,50-56H,49H2,1H3.
What are the key properties of 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine?
4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine has a molecular weight of 1098.41 g/mol, XLogP of 21.77, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-[3-phenyl-4-[2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]-5-[[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]methyl]phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 155609116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).