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

C83H58N2 — CID 156621495

IUPAC2-[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
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ccc1-c1ccccc1
InChIInChI=1S/C83H58N2/c1-57-50-62(40-44-69(57)58-24-6-2-7-25-58)63-41-45-76(79(54-63)59-26-8-3-9-27-59)73-35-17-14-32-70(73)66-51-67(71-33-15-18-36-74(71)77-46-42-64(82-38-20-22-48-84-82)55-80(77)60-28-10-4-11-29-60)53-68(52-66)72-34-16-19-37-75(72)78-47-43-65(83-39-21-23-49-85-83)56-81(78)61-30-12-5-13-31-61/h2-56H,1H3/i1D3
InChIKeyLXUUXMGSALEEEH-FIBGUPNXSA-N
MW1086.41 g/mol
LogP22.46
Rot. Bonds14

About 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

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 (PubChem CID 156621495) has the molecular formula C83H58N2 and a molecular weight of 1086.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID156621495
Molecular FormulaC83H58N2
Molecular Weight1086.41 g/mol
Exact Mass1085.48
IUPAC Name2-[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
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ccc1-c1ccccc1
InChIInChI=1S/C83H58N2/c1-57-50-62(40-44-69(57)58-24-6-2-7-25-58)63-41-45-76(79(54-63)59-26-8-3-9-27-59)73-35-17-14-32-70(73)66-51-67(71-33-15-18-36-74(71)77-46-42-64(82-38-20-22-48-84-82)55-80(77)60-28-10-4-11-29-60)53-68(52-66)72-34-16-19-37-75(72)78-47-43-65(83-39-21-23-49-85-83)56-81(78)61-30-12-5-13-31-61/h2-56H,1H3/i1D3
InChIKeyLXUUXMGSALEEEH-FIBGUPNXSA-N
XLogP22.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.41
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-4-(trideuteriomethyl)pyridine
CID 140838393
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
5-phenyl-2-[4-[2-[3-[2-(4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 176725781
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 139394639
2-[3-[2-[2-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 71534257
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-3-phenylquinoxaline
CID 153458494
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-methyl-5-phenylpyridine;2-[4-[2-[3,5-bis[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-5-phenyl-4-(trideuteriomethyl)pyridine;bis(iridium(3+))
CID 157084353

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4-c4ccccc4)c3)c(-c3ccccc3)c2)ccc1-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is LXUUXMGSALEEEH-FIBGUPNXSA-N. The full InChI is InChI=1S/C83H58N2/c1-57-50-62(40-44-69(57)58-24-6-2-7-25-58)63-41-45-76(79(54-63)59-26-8-3-9-27-59)73-35-17-14-32-70(73)66-51-67(71-33-15-18-36-74(71)77-46-42-64(82-38-20-22-48-84-82)55-80(77)60-28-10-4-11-29-60)53-68(52-66)72-34-16-19-37-75(72)78-47-43-65(83-39-21-23-49-85-83)56-81(78)61-30-12-5-13-31-61/h2-56H,1H3/i1D3.
What are the key properties of 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?
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 has a molecular weight of 1086.41 g/mol, XLogP of 22.46, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156621495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).