8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine

C43H32F3N5 — CID 138461288

IUPAC8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1CC=CC2=C1Cc1c2cccc1-c1nc(-c2ccccc2)nc(-c2cnc(-c3ccc4c(c3)C3CCC4C3)c3ccc(C(F)(F)F)nc23)n1
InChIInChI=1S/C43H32F3N5/c1-23-7-5-10-29-30-11-6-12-31(35(30)21-33(23)29)41-49-40(24-8-3-2-4-9-24)50-42(51-41)36-22-47-38(32-17-18-37(43(44,45)46)48-39(32)36)27-15-16-28-25-13-14-26(19-25)34(28)20-27/h2-6,8-12,15-18,20,22-23,25-26H,7,13-14,19,21H2,1H3
InChIKeyDYIPFHNROPMVOZ-UHFFFAOYSA-N
MW675.76 g/mol
LogP10.77
Rot. Bonds4

About 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine

8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 138461288) has the molecular formula C43H32F3N5 and a molecular weight of 675.76 g/mol. Its IUPAC name is 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID138461288
Molecular FormulaC43H32F3N5
Molecular Weight675.76 g/mol
Exact Mass675.26
IUPAC Name8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine
SMILESCC1CC=CC2=C1Cc1c2cccc1-c1nc(-c2ccccc2)nc(-c2cnc(-c3ccc4c(c3)C3CCC4C3)c3ccc(C(F)(F)F)nc23)n1
InChIInChI=1S/C43H32F3N5/c1-23-7-5-10-29-30-11-6-12-31(35(30)21-33(23)29)41-49-40(24-8-3-2-4-9-24)50-42(51-41)36-22-47-38(32-17-18-37(43(44,45)46)48-39(32)36)27-15-16-28-25-13-14-26(19-25)34(28)20-27/h2-6,8-12,15-18,20,22-23,25-26H,7,13-14,19,21H2,1H3
InChIKeyDYIPFHNROPMVOZ-UHFFFAOYSA-N
XLogP10.77
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.76
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine (CID 138461288) is 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine is CC1CC=CC2=C1Cc1c2cccc1-c1nc(-c2ccccc2)nc(-c2cnc(-c3ccc4c(c3)C3CCC4C3)c3ccc(C(F)(F)F)nc23)n1.
What is the InChIKey of 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is DYIPFHNROPMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F3N5/c1-23-7-5-10-29-30-11-6-12-31(35(30)21-33(23)29)41-49-40(24-8-3-2-4-9-24)50-42(51-41)36-22-47-38(32-17-18-37(43(44,45)46)48-39(32)36)27-15-16-28-25-13-14-26(19-25)34(28)20-27/h2-6,8-12,15-18,20,22-23,25-26H,7,13-14,19,21H2,1H3.
What are the key properties of 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine?
8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 675.76 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(8-methyl-8,9-dihydro-7H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 138461288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).