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

C40H24N6O — CID 168747059

IUPAC13-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5oc6cnc(-c7ccc8ccccc8n7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-17-15-25(16-18-29)30-21-22-41-40-36(30)31-23-34(42-24-35(31)47-40)33-20-19-26-9-7-8-14-32(26)43-33/h1-24H
InChIKeyCMBQFMYOLGDQQL-UHFFFAOYSA-N
MW604.67 g/mol
LogP9.44
Rot. Bonds5

About 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

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 (PubChem CID 168747059) has the molecular formula C40H24N6O and a molecular weight of 604.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name13-[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
PubChem CID168747059
Molecular FormulaC40H24N6O
Molecular Weight604.67 g/mol
Exact Mass604.20
IUPAC Name13-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5oc6cnc(-c7ccc8ccccc8n7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C40H24N6O/c1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-17-15-25(16-18-29)30-21-22-41-40-36(30)31-23-34(42-24-35(31)47-40)33-20-19-26-9-7-8-14-32(26)43-33/h1-24H
InChIKeyCMBQFMYOLGDQQL-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 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 with MolForge

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Related Compounds

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
7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 164798196
12-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163838636
12-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 163962549
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746066
4-(4-chrysen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168784952
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785558
1-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline;12-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 167588846
3-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinazolin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 168745917
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
4-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 163509386
4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785351

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccnc5oc6cnc(-c7ccc8ccccc8n7)cc6c45)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is CMBQFMYOLGDQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N6O/c1-3-10-27(11-4-1)37-44-38(28-12-5-2-6-13-28)46-39(45-37)29-17-15-25(16-18-29)30-21-22-41-40-36(30)31-23-34(42-24-35(31)47-40)33-20-19-26-9-7-8-14-32(26)43-33/h1-24H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 168747059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).