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

C37H23N3 — CID 167087403

IUPAC2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c4ccc4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C37H23N3/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)34-17-9-16-28-31-21-20-29-27-15-8-7-10-24(27)18-19-30(29)32(31)22-23-33(28)34/h1-23H
InChIKeyDHCRAPBLCADPIG-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.49
Rot. Bonds3

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

2,4-diphenyl-6-picen-4-yl-1,3,5-triazine (PubChem CID 167087403) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
PubChem CID167087403
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c4ccc4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C37H23N3/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)34-17-9-16-28-31-21-20-29-27-15-8-7-10-24(27)18-19-30(29)32(31)22-23-33(28)34/h1-23H
InChIKeyDHCRAPBLCADPIG-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.49
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

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
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281
2-phenanthren-1-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 171598360
2-[2-(3-chrysen-6-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170248310
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164961687
1-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174289560
2-chloro-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 118688280
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
2-naphthalen-1-yl-4-[4-[[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-diphenylmethyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315433

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine (CID 167087403) is 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3ccc3c4ccc4c5ccccc5ccc43)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine?
The InChIKey is DHCRAPBLCADPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-3-11-25(12-4-1)35-38-36(26-13-5-2-6-14-26)40-37(39-35)34-17-9-16-28-31-21-20-29-27-15-8-7-10-24(27)18-19-30(29)32(31)22-23-33(28)34/h1-23H.
What are the key properties of 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine?
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine has a molecular weight of 509.61 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-picen-4-yl-1,3,5-triazine is sourced from PubChem (CID 167087403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).