5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine

C39H25N3 — CID 175828130

IUPAC5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C39H25N3/c1-2-13-26(14-3-1)27-15-4-5-16-28(27)37-25-40-42-41-39(37)36-22-11-9-20-32(36)35-24-12-23-34-31-18-7-6-17-29(31)30-19-8-10-21-33(30)38(34)35/h1-25H
InChIKeyIRQDPRLRNHLATK-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.00
Rot. Bonds4

About 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine

5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine (PubChem CID 175828130) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine.

Molecular Properties

Compound Name5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
PubChem CID175828130
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1
InChIInChI=1S/C39H25N3/c1-2-13-26(14-3-1)27-15-4-5-16-28(27)37-25-40-42-41-39(37)36-22-11-9-20-32(36)35-24-12-23-34-31-18-7-6-17-29(31)30-19-8-10-21-33(30)38(34)35/h1-25H
InChIKeyIRQDPRLRNHLATK-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
CID 166133820
4-anthracen-1-yl-5-phenyltriazine
CID 172686741
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4-bromo-5-phenyltriazine
CID 140869690
4,6-diphenyl-2-[3-(2-phenylphenyl)-2-triphenylen-1-ylphenyl]pyrimidine
CID 166134538
5-[4-[4-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)naphthalen-1-yl]phenyl]-2,3-diphenylpyrazine
CID 167410449
2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 155451025
25-(2-phenylphenyl)nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1,3,5,7(17),8,10,12(34),13,15,18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 123683020
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
1-(2-phenylanthracen-1-yl)triphenylene
CID 166545008
4-bromopyridine;4,5-diphenyltriazine
CID 175045379
2-[3-[3-(6-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22-tridecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167412455

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine?
The IUPAC name of 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine (CID 175828130) is 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine.
What is the SMILES notation for 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine?
The canonical SMILES for 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine is c1ccc(-c2ccccc2-c2cnnnc2-c2ccccc2-c2cccc3c4ccccc4c4ccccc4c23)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine?
The InChIKey is IRQDPRLRNHLATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-13-26(14-3-1)27-15-4-5-16-28(27)37-25-40-42-41-39(37)36-22-11-9-20-32(36)35-24-12-23-34-31-18-7-6-17-29(31)30-19-8-10-21-33(30)38(34)35/h1-25H.
What are the key properties of 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine?
5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine has a molecular weight of 535.65 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine is sourced from PubChem (CID 175828130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).