6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C40H24N6O — CID 168746710

IUPAC6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6nccc7c6oc6ncccc67)c5n4)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-10-26(11-4-1)37-44-38(27-12-5-2-6-13-27)46-39(45-37)29-16-7-15-28(24-29)33-20-19-25-14-8-17-32(34(25)43-33)35-36-30(21-23-41-35)31-18-9-22-42-40(31)47-36/h1-24H
InChIKeyAMAAUDJNDSIDHM-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.44
Rot. Bonds5

About 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168746710) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168746710
Molecular FormulaC40H24N6O
Molecular Weight604.67 g/mol
Exact Mass604.20
IUPAC Name6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6nccc7c6oc6ncccc67)c5n4)c3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-10-26(11-4-1)37-44-38(27-12-5-2-6-13-27)46-39(45-37)29-16-7-15-28(24-29)33-20-19-25-14-8-17-32(34(25)43-33)35-36-30(21-23-41-35)31-18-9-22-42-40(31)47-36/h1-24H
InChIKeyAMAAUDJNDSIDHM-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 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Launch Full Analysis

Related Compounds

4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-2-yl)phenyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 146850618
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746129
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-1,10-phenanthroline
CID 142752628
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzofuran-2-yl]-9-phenyl-1,10-phenanthroline
CID 154955773
1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168747076
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
8-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801432
2-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 146367503
2-[6-[4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 176632448
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline
CID 152873116

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 168746710) is 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5cccc(-c6nccc7c6oc6ncccc67)c5n4)c3)n2)cc1.
What is the InChIKey of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AMAAUDJNDSIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-10-26(11-4-1)37-44-38(27-12-5-2-6-13-27)46-39(45-37)29-16-7-15-28(24-29)33-20-19-25-14-8-17-32(34(25)43-33)35-36-30(21-23-41-35)31-18-9-22-42-40(31)47-36/h1-24H.
What are the key properties of 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-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 6-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168746710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).