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

C42H26N4 — CID 167087504

IUPAC2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4ccc4c5ccc5c6ccccc6ccc54)nc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)30-19-25-39(43-26-30)38-17-9-16-32-35-22-21-33-31-15-8-7-10-27(31)18-20-34(33)36(35)23-24-37(32)38/h1-26H
InChIKeyQEVYPNXRYGJUFH-UHFFFAOYSA-N
MW586.70 g/mol
LogP10.55
Rot. Bonds4

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

2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine (PubChem CID 167087504) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
PubChem CID167087504
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4ccc4c5ccc5c6ccccc6ccc54)nc3)n2)cc1
InChIInChI=1S/C42H26N4/c1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)30-19-25-39(43-26-30)38-17-9-16-32-35-22-21-33-31-15-8-7-10-27(31)18-20-34(33)36(35)23-24-37(32)38/h1-26H
InChIKeyQEVYPNXRYGJUFH-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-2-yl-3-pyridinyl)-1,3,5-triazine
CID 167087639
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine
CID 167087547
1-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174289560
trimethyl-(6-phenanthren-1-yl-3-pyridinyl)silane
CID 156658273
trimethyl-(6-phenanthren-1-yl-3-pyridinyl)germane
CID 156659883
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-[6-[4-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-1-yl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 126727033
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
4-phenanthren-2-yl-6-[4-[5-[4-(6-phenanthren-2-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2-phenylpyrimidine
CID 122448075
2-[2-(3-chrysen-6-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170248310
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine (CID 167087504) is 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4ccc4c5ccc5c6ccccc6ccc54)nc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine?
The InChIKey is QEVYPNXRYGJUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)30-19-25-39(43-26-30)38-17-9-16-32-35-22-21-33-31-15-8-7-10-27(31)18-20-34(33)36(35)23-24-37(32)38/h1-26H.
What are the key properties of 2,4-diphenyl-6-(6-picen-4-yl-3-pyridinyl)-1,3,5-triazine?
2,4-diphenyl-6-(6-picen-4-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-4-yl-3-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 167087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).