8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

C37H42F3N5 — CID 130376299

IUPAC8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(C5CCCCC5)nc(C5CCCCC5)n4)c4nc(C(F)(F)F)ccc34)ccc21
InChIInChI=1S/C37H42F3N5/c1-35(2)21-36(3,4)28-19-24(15-17-27(28)35)30-25-16-18-29(37(38,39)40)42-31(25)26(20-41-30)34-44-32(22-11-7-5-8-12-22)43-33(45-34)23-13-9-6-10-14-23/h15-20,22-23H,5-14,21H2,1-4H3
InChIKeyURLROPKEHIJEGH-UHFFFAOYSA-N
MW613.77 g/mol
LogP10.22
Rot. Bonds4

About 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine

8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 130376299) has the molecular formula C37H42F3N5 and a molecular weight of 613.77 g/mol. Its IUPAC name is 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID130376299
Molecular FormulaC37H42F3N5
Molecular Weight613.77 g/mol
Exact Mass613.34
IUPAC Name8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(C5CCCCC5)nc(C5CCCCC5)n4)c4nc(C(F)(F)F)ccc34)ccc21
InChIInChI=1S/C37H42F3N5/c1-35(2)21-36(3,4)28-19-24(15-17-27(28)35)30-25-16-18-29(37(38,39)40)42-31(25)26(20-41-30)34-44-32(22-11-7-5-8-12-22)43-33(45-34)23-13-9-6-10-14-23/h15-20,22-23H,5-14,21H2,1-4H3
InChIKeyURLROPKEHIJEGH-UHFFFAOYSA-N
XLogP10.22
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.77
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine with MolForge

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Related Compounds

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CID 60167830
CID 60167883
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CID 60167920
CID 60167920
CID 124168021
CID 124168021
CID 124168024
CID 124168024
CID 135381987
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CID 139208741
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CID 139208742
CID 139208742

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 130376299) is 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is CC1(C)CC(C)(C)c2cc(-c3ncc(-c4nc(C5CCCCC5)nc(C5CCCCC5)n4)c4nc(C(F)(F)F)ccc34)ccc21.
What is the InChIKey of 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is URLROPKEHIJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42F3N5/c1-35(2)21-36(3,4)28-19-24(15-17-27(28)35)30-25-16-18-29(37(38,39)40)42-31(25)26(20-41-30)34-44-32(22-11-7-5-8-12-22)43-33(45-34)23-13-9-6-10-14-23/h15-20,22-23H,5-14,21H2,1-4H3.
What are the key properties of 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine?
8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 613.77 g/mol, XLogP of 10.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dicyclohexyl-1,3,5-triazin-2-yl)-5-(1,1,3,3-tetramethyl-2H-inden-5-yl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 130376299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).