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

C57H39N3 — CID 171052493

IUPAC2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)n4)cc3)c2)cc1
InChIInChI=1S/C57H39N3/c1-4-15-40(16-5-1)49-21-14-22-50(39-49)41-27-33-46(34-28-41)55-58-56(47-35-29-44(30-36-47)53-25-12-10-23-51(53)42-17-6-2-7-18-42)60-57(59-55)48-37-31-45(32-38-48)54-26-13-11-24-52(54)43-19-8-3-9-20-43/h1-39H
InChIKeyTVYGMDVJIDBAGW-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.87
Rot. Bonds9

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

2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052493) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171052493
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)n4)cc3)c2)cc1
InChIInChI=1S/C57H39N3/c1-4-15-40(16-5-1)49-21-14-22-50(39-49)41-27-33-46(34-28-41)55-58-56(47-35-29-44(30-36-47)53-25-12-10-23-51(53)42-17-6-2-7-18-42)60-57(59-55)48-37-31-45(32-38-48)54-26-13-11-24-52(54)43-19-8-3-9-20-43/h1-39H
InChIKeyTVYGMDVJIDBAGW-UHFFFAOYSA-N
XLogP14.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[4-[2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162077503
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
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 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052493) is 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6-c6ccccc6)cc5)n4)cc3)c2)cc1.
What is the InChIKey of 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is TVYGMDVJIDBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-4-15-40(16-5-1)49-21-14-22-50(39-49)41-27-33-46(34-28-41)55-58-56(47-35-29-44(30-36-47)53-25-12-10-23-51(53)42-17-6-2-7-18-42)60-57(59-55)48-37-31-45(32-38-48)54-26-13-11-24-52(54)43-19-8-3-9-20-43/h1-39H.
What are the key properties of 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 765.96 g/mol, XLogP of 14.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).