12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C40H24N6O — CID 168745980

IUPAC12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(cn4)oc4cc(-c6ccc7ccccc7n6)ncc45)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(20-29)34-21-30-31-23-41-35(22-36(31)47-37(30)24-42-34)33-19-18-25-10-7-8-17-32(25)43-33/h1-24H
InChIKeyIXWFKFKSAVLWFY-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.44
Rot. Bonds5

About 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 168745980) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID168745980
Molecular FormulaC40H24N6O
Molecular Weight604.67 g/mol
Exact Mass604.20
IUPAC Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(cn4)oc4cc(-c6ccc7ccccc7n6)ncc45)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(20-29)34-21-30-31-23-41-35(22-36(31)47-37(30)24-42-34)33-19-18-25-10-7-8-17-32(25)43-33/h1-24H
InChIKeyIXWFKFKSAVLWFY-UHFFFAOYSA-N
XLogP9.44
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-quinolin-2-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 168747059
13-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
CID 147101009
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746066
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
19-[3-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-23-oxa-20-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene
CID 154600188
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
N-[4-([1]benzofuro[3,2-c]pyridin-3-yl)phenyl]-4-quinolin-2-yl-N-(4-quinolin-2-ylphenyl)aniline
CID 168765879
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746654
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]quinoline
CID 176588455
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
CID 118582341

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 168745980) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c(cn4)oc4cc(-c6ccc7ccccc7n6)ncc45)c3)n2)cc1.
What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is IXWFKFKSAVLWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-11-26(12-4-1)38-44-39(27-13-5-2-6-14-27)46-40(45-38)29-16-9-15-28(20-29)34-21-30-31-23-41-35(22-36(31)47-37(30)24-42-34)33-19-18-25-10-7-8-17-32(25)43-33/h1-24H.
What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 604.67 g/mol, XLogP of 9.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-quinolin-2-yl-8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 168745980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).