2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine

C37H25N5 — CID 146187345

IUPAC2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C37H25N5/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)32-20-19-30(24-33(32)27-13-5-2-6-14-27)35-40-36(31-17-10-21-38-25-31)42-37(41-35)34-18-7-8-22-39-34/h1-25H
InChIKeyWZZRNVOPOSATGL-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.66
Rot. Bonds6

About 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine

2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine (PubChem CID 146187345) has the molecular formula C37H25N5 and a molecular weight of 539.64 g/mol. Its IUPAC name is 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
PubChem CID146187345
Molecular FormulaC37H25N5
Molecular Weight539.64 g/mol
Exact Mass539.21
IUPAC Name2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)cc3-c3ccccc3)c2)cc1
InChIInChI=1S/C37H25N5/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)32-20-19-30(24-33(32)27-13-5-2-6-14-27)35-40-36(31-17-10-21-38-25-31)42-37(41-35)34-18-7-8-22-39-34/h1-25H
InChIKeyWZZRNVOPOSATGL-UHFFFAOYSA-N
XLogP8.66
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]-4,6-dipyridin-3-yl-1,3,5-triazine
CID 153435459
2-(3-phenylphenyl)-4,6-bis(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-(3-phenylphenyl)-4,6-bis(3-pyridin-4-ylphenyl)-1,3,5-triazine;2,4,6-tris(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 158115571
bis(2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine);2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 158902539
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 159312458
9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 169056520
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2-naphthalen-2-yl-4-phenyl-6-[2-phenyl-4-(2-phenyl-4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 175394211
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347

Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine?
The IUPAC name of 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine (CID 146187345) is 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccnc5)nc(-c5ccccn5)n4)cc3-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine?
The InChIKey is WZZRNVOPOSATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N5/c1-3-11-26(12-4-1)28-15-9-16-29(23-28)32-20-19-30(24-33(32)27-13-5-2-6-14-27)35-40-36(31-17-10-21-38-25-31)42-37(41-35)34-18-7-8-22-39-34/h1-25H.
What are the key properties of 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine?
2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine has a molecular weight of 539.64 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-4-(3-phenylphenyl)phenyl]-4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazine is sourced from PubChem (CID 146187345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).