2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine

C42H26N4 — CID 167087639

IUPAC2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6c(ccc7c8ccccc8ccc76)c5c4)nc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-10-29(11-4-1)40-44-41(30-12-5-2-6-13-30)46-42(45-40)32-19-24-39(43-26-32)31-16-15-28-18-21-36-35-20-17-27-9-7-8-14-33(27)34(35)22-23-37(36)38(28)25-31/h1-26H
InChIKeyJVMBVCZNMWGJLJ-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

About 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine

2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 167087639) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID167087639
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6c(ccc7c8ccccc8ccc76)c5c4)nc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-10-29(11-4-1)40-44-41(30-12-5-2-6-13-30)46-42(45-40)32-19-24-39(43-26-32)31-16-15-28-18-21-36-35-20-17-27-9-7-8-14-33(27)34(35)22-23-37(36)38(28)25-31/h1-26H
InChIKeyJVMBVCZNMWGJLJ-UHFFFAOYSA-N
XLogP10.55
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
CID 167087504
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
CID 162392887
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-(6-phenyl-3-pyridinyl)-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 122416054
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 155792693
2-naphthalen-2-yl-4-[3-phenanthren-9-yl-5-(5-pyrimidin-2-yl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 122416046
2-(4-phenanthren-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 171732105
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine (CID 167087639) is 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc6c(ccc7c8ccccc8ccc76)c5c4)nc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is JVMBVCZNMWGJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-10-29(11-4-1)40-44-41(30-12-5-2-6-13-30)46-42(45-40)32-19-24-39(43-26-32)31-16-15-28-18-21-36-35-20-17-27-9-7-8-14-33(27)34(35)22-23-37(36)38(28)25-31/h1-26H.
What are the key properties of 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine?
2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine has a molecular weight of 586.70 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-picen-2-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 167087639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).