2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine

C81H55N — CID 166563571

IUPAC2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6cc(-c7ccccc7)cc7cc(-c8ccccc8)ccc67)n5)c4)c3)c2)cc1
InChIInChI=1S/C81H55N/c1-7-22-56(23-8-1)66-40-41-78-76(44-66)52-75(61-32-17-6-18-33-61)55-79(78)81-39-21-38-80(82-81)77-53-73(64-36-19-34-62(42-64)71-47-67(57-24-9-2-10-25-57)45-68(48-71)58-26-11-3-12-27-58)51-74(54-77)65-37-20-35-63(43-65)72-49-69(59-28-13-4-14-29-59)46-70(50-72)60-30-15-5-16-31-60/h1-55H
InChIKeyVWYDWOWHUZSXPD-UHFFFAOYSA-N
MW1042.34 g/mol
LogP22.24
Rot. Bonds12

About 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine

2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine (PubChem CID 166563571) has the molecular formula C81H55N and a molecular weight of 1042.34 g/mol. Its IUPAC name is 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine
PubChem CID166563571
Molecular FormulaC81H55N
Molecular Weight1042.34 g/mol
Exact Mass1041.43
IUPAC Name2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6cc(-c7ccccc7)cc7cc(-c8ccccc8)ccc67)n5)c4)c3)c2)cc1
InChIInChI=1S/C81H55N/c1-7-22-56(23-8-1)66-40-41-78-76(44-66)52-75(61-32-17-6-18-33-61)55-79(78)81-39-21-38-80(82-81)77-53-73(64-36-19-34-62(42-64)71-47-67(57-24-9-2-10-25-57)45-68(48-71)58-26-11-3-12-27-58)51-74(54-77)65-37-20-35-63(43-65)72-49-69(59-28-13-4-14-29-59)46-70(50-72)60-30-15-5-16-31-60/h1-55H
InChIKeyVWYDWOWHUZSXPD-UHFFFAOYSA-N
XLogP22.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.34
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenanthren-2-ylpyridine;9-naphthalen-2-yl-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-naphthalen-2-yl-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenanthren-2-ylpyridine;9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-2-yl-5-phenylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-[3-(3-phenanthren-2-ylphenyl)phenyl]anthracene
CID 159524474
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
2-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-pyridin-3-ylpyridine
CID 118563958
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine?
The IUPAC name of 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine (CID 166563571) is 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine.
What is the SMILES notation for 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine?
The canonical SMILES for 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4cc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6cc(-c7ccccc7)cc7cc(-c8ccccc8)ccc67)n5)c4)c3)c2)cc1.
What is the InChIKey of 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine?
The InChIKey is VWYDWOWHUZSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H55N/c1-7-22-56(23-8-1)66-40-41-78-76(44-66)52-75(61-32-17-6-18-33-61)55-79(78)81-39-21-38-80(82-81)77-53-73(64-36-19-34-62(42-64)71-47-67(57-24-9-2-10-25-57)45-68(48-71)58-26-11-3-12-27-58)51-74(54-77)65-37-20-35-63(43-65)72-49-69(59-28-13-4-14-29-59)46-70(50-72)60-30-15-5-16-31-60/h1-55H.
What are the key properties of 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine?
2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine has a molecular weight of 1042.34 g/mol, XLogP of 22.24, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(3,5-diphenylphenyl)phenyl]phenyl]-6-(3,6-diphenylnaphthalen-1-yl)pyridine is sourced from PubChem (CID 166563571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).