10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

C27H16N6O — CID 118104663

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ncccc4c4c5cccnc5oc43)n2)cc1
InChIInChI=1S/C27H16N6O/c1-3-9-17(10-4-1)22-30-23(18-11-5-2-6-12-18)32-27(31-22)33-24-19(13-7-15-28-24)21-20-14-8-16-29-25(20)34-26(21)33/h1-16H
InChIKeyQFORKVIYQGNXPA-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.84
Rot. Bonds3

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (PubChem CID 118104663) has the molecular formula C27H16N6O and a molecular weight of 440.47 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
PubChem CID118104663
Molecular FormulaC27H16N6O
Molecular Weight440.47 g/mol
Exact Mass440.14
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ncccc4c4c5cccnc5oc43)n2)cc1
InChIInChI=1S/C27H16N6O/c1-3-9-17(10-4-1)22-30-23(18-11-5-2-6-12-18)32-27(31-22)33-24-19(13-7-15-28-24)21-20-14-8-16-29-25(20)34-26(21)33/h1-16H
InChIKeyQFORKVIYQGNXPA-UHFFFAOYSA-N
XLogP5.84
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
8-(4-phenylpyrimidin-2-yl)-10-oxa-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848539
14-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138640774
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-diphenyl-9,16,18,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 138640119
8-[4-(10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848479
8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 118104763
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159917708
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166563611
5-(4-benzo[g]phenanthren-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785356

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene (CID 118104663) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ncccc4c4c5cccnc5oc43)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
The InChIKey is QFORKVIYQGNXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N6O/c1-3-9-17(10-4-1)22-30-23(18-11-5-2-6-12-18)32-27(31-22)33-24-19(13-7-15-28-24)21-20-14-8-16-29-25(20)34-26(21)33/h1-16H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene has a molecular weight of 440.47 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-oxa-6,10,12-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene is sourced from PubChem (CID 118104663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).