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

C49H33N5 — CID 168835981

IUPAC2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)cc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C49H33N5/c1-3-8-34(9-4-1)36-14-16-37(17-15-36)44-31-45(33-46(32-44)43-13-7-12-42(30-43)35-10-5-2-6-11-35)38-18-20-39(21-19-38)47-52-48(40-22-26-50-27-23-40)54-49(53-47)41-24-28-51-29-25-41/h1-33H
InChIKeyJUXNKIIBQVSRIV-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.00
Rot. Bonds8

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

2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine (PubChem CID 168835981) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
PubChem CID168835981
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC Name2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)cc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1
InChIInChI=1S/C49H33N5/c1-3-8-34(9-4-1)36-14-16-37(17-15-36)44-31-45(33-46(32-44)43-13-7-12-42(30-43)35-10-5-2-6-11-35)38-18-20-39(21-19-38)47-52-48(40-22-26-50-27-23-40)54-49(53-47)41-24-28-51-29-25-41/h1-33H
InChIKeyJUXNKIIBQVSRIV-UHFFFAOYSA-N
XLogP12.00
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2,4-diphenyl-6-[4-[3-[6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163452387
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
2,4-diphenyl-6-[3-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 165168331
2,4-diphenyl-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-pyridin-4-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 167534445
2,4-diphenyl-6-[3-[3-[6-phenyl-4-(3-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]phenyl]-1,3,5-triazine
CID 175141868
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine (CID 168835981) is 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)cc4)cc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
The InChIKey is JUXNKIIBQVSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-3-8-34(9-4-1)36-14-16-37(17-15-36)44-31-45(33-46(32-44)43-13-7-12-42(30-43)35-10-5-2-6-11-35)38-18-20-39(21-19-38)47-52-48(40-22-26-50-27-23-40)54-49(53-47)41-24-28-51-29-25-41/h1-33H.
What are the key properties of 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine?
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine has a molecular weight of 691.84 g/mol, XLogP of 12.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine is sourced from PubChem (CID 168835981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).