2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine

C55H39N5 — CID 153197016

IUPAC2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N=C(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N2)cc1
InChIInChI=1S/C55H39N5/c1-4-14-38(15-5-1)45-32-47(40-22-26-42(27-23-40)51-20-10-12-30-56-51)36-49(34-45)54-58-53(44-18-8-3-9-19-44)59-55(60-54)50-35-46(39-16-6-2-7-17-39)33-48(37-50)41-24-28-43(29-25-41)52-21-11-13-31-57-52/h1-37,54H,(H,58,59,60)
InChIKeyWJEDTTPAKAWJFM-UHFFFAOYSA-N
MW769.95 g/mol
LogP12.97
Rot. Bonds9

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

2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 153197016) has the molecular formula C55H39N5 and a molecular weight of 769.95 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID153197016
Molecular FormulaC55H39N5
Molecular Weight769.95 g/mol
Exact Mass769.32
IUPAC Name2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N=C(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N2)cc1
InChIInChI=1S/C55H39N5/c1-4-14-38(15-5-1)45-32-47(40-22-26-42(27-23-40)51-20-10-12-30-56-51)36-49(34-45)54-58-53(44-18-8-3-9-19-44)59-55(60-54)50-35-46(39-16-6-2-7-17-39)33-48(37-50)41-24-28-43(29-25-41)52-21-11-13-31-57-52/h1-37,54H,(H,58,59,60)
InChIKeyWJEDTTPAKAWJFM-UHFFFAOYSA-N
XLogP12.97
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.95
LogP ≤ 512.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
2-cyclohexa-1,5-dien-1-yl-4-[3-fluoranthen-3-yl-5-(4-pyridin-2-ylphenyl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 144775582
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
CID 145384087
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
CID 146184467
CID 146184467
2-[4-(4-chlorophenyl)phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 129197599
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (CID 153197016) is 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N=C(c3cc(-c4ccccc4)cc(-c4ccc(-c5ccccn5)cc4)c3)N2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is WJEDTTPAKAWJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N5/c1-4-14-38(15-5-1)45-32-47(40-22-26-42(27-23-40)51-20-10-12-30-56-51)36-49(34-45)54-58-53(44-18-8-3-9-19-44)59-55(60-54)50-35-46(39-16-6-2-7-17-39)33-48(37-50)41-24-28-43(29-25-41)52-21-11-13-31-57-52/h1-37,54H,(H,58,59,60).
What are the key properties of 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 769.95 g/mol, XLogP of 12.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 153197016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).