5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole

C40H24N4S — CID 163592053

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5sc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1
InChIInChI=1S/C40H24N4S/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)29-21-22-32-31-17-9-10-18-33(31)36-35(34(32)24-29)41-40(45-36)30-20-19-25-11-7-8-16-28(25)23-30/h1-24H
InChIKeyGQIACHHGXGWVHW-UHFFFAOYSA-N
MW592.73 g/mol
LogP10.61
Rot. Bonds4

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole (PubChem CID 163592053) has the molecular formula C40H24N4S and a molecular weight of 592.73 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole
PubChem CID163592053
Molecular FormulaC40H24N4S
Molecular Weight592.73 g/mol
Exact Mass592.17
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5sc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1
InChIInChI=1S/C40H24N4S/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)29-21-22-32-31-17-9-10-18-33(31)36-35(34(32)24-29)41-40(45-36)30-20-19-25-11-7-8-16-28(25)23-30/h1-24H
InChIKeyGQIACHHGXGWVHW-UHFFFAOYSA-N
XLogP10.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.73
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-5-[4-[4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthro[9,10-d][1,3]thiazole
CID 163586048
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-2-yl-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 171411710
2,4-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2-chrysen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170131359
2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 121287208
2-naphthalen-2-yl-4-phenyl-6-[4-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]-1,3,5-triazine
CID 167167244
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-6-phenyl-1,3,5-triazine
CID 171757171
2-(3-naphthalen-2-ylnaphtho[1,2-b][1]benzothiol-5-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176853898

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole (CID 163592053) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccccc5c5sc(-c6ccc7ccccc7c6)nc5c4c3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole?
The InChIKey is GQIACHHGXGWVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4S/c1-3-12-26(13-4-1)37-42-38(27-14-5-2-6-15-27)44-39(43-37)29-21-22-32-31-17-9-10-18-33(31)36-35(34(32)24-29)41-40(45-36)30-20-19-25-11-7-8-16-28(25)23-30/h1-24H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole has a molecular weight of 592.73 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenanthro[9,10-d][1,3]thiazole is sourced from PubChem (CID 163592053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).