2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine

C43H27N3 — CID 155451025

IUPAC2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C43H27N3/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)39-27-26-35(31-19-8-10-22-34(31)39)38-25-13-24-37-33-20-9-7-18-30(33)32-21-11-12-23-36(32)40(37)38/h1-27H
InChIKeyUFZTUYBHZIUQPB-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine

2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 155451025) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID155451025
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C43H27N3/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)39-27-26-35(31-19-8-10-22-34(31)39)38-25-13-24-37-33-20-9-7-18-30(33)32-21-11-12-23-36(32)40(37)38/h1-27H
InChIKeyUFZTUYBHZIUQPB-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
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-[4-(4-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 156547373
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
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
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614
2-phenyl-4-propan-2-yl-6-triphenylen-1-yl-1,3,5-triazine
CID 165149803
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
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
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2,4-diphenyl-6-[4-(3-thiahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaen-8-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163993673
2-(23-oxahexacyclo[18.2.1.03,8.09,22.010,15.016,21]tricosa-1(22),2,4,6,8,10,12,14,16(21),17,19-undecaen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 171043965

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine (CID 155451025) is 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is UFZTUYBHZIUQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)39-27-26-35(31-19-8-10-22-34(31)39)38-25-13-24-37-33-20-9-7-18-30(33)32-21-11-12-23-36(32)40(37)38/h1-27H.
What are the key properties of 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine?
2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4-triphenylen-1-ylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155451025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).