8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene

C28H19N5O — CID 118104823

IUPAC8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene
SMILESC1=Cc2c(c3c4ccccc4oc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC1
InChIInChI=1S/C28H19N5O/c1-3-10-18(11-4-1)25-30-26(19-12-5-2-6-13-19)32-28(31-25)33-21-15-9-17-29-24(21)23-20-14-7-8-16-22(20)34-27(23)33/h1-16,29H,17H2
InChIKeyHXQHXYGPUQDKCS-UHFFFAOYSA-N
MW441.49 g/mol
LogP6.33
Rot. Bonds3

About 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene

8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene (PubChem CID 118104823) has the molecular formula C28H19N5O and a molecular weight of 441.49 g/mol. Its IUPAC name is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene.

Molecular Properties

Compound Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene
PubChem CID118104823
Molecular FormulaC28H19N5O
Molecular Weight441.49 g/mol
Exact Mass441.16
IUPAC Name8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene
SMILESC1=Cc2c(c3c4ccccc4oc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC1
InChIInChI=1S/C28H19N5O/c1-3-10-18(11-4-1)25-30-26(19-12-5-2-6-13-19)32-28(31-25)33-21-15-9-17-29-24(21)23-20-14-7-8-16-22(20)34-27(23)33/h1-16,29H,17H2
InChIKeyHXQHXYGPUQDKCS-UHFFFAOYSA-N
XLogP6.33
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene with MolForge

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Related Compounds

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-4,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848562
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
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
CID 129229746
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-dioxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,22,24,26-dodecaene
CID 118634797
11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-oxa-2,9,11-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646924
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,9,10,11-tetrahydro-[1]benzofuro[3,2-a]carbazole
CID 90055313
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
19-dibenzofuran-1-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571311
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene?
The IUPAC name of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene (CID 118104823) is 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene.
What is the SMILES notation for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene?
The canonical SMILES for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene is C1=Cc2c(c3c4ccccc4oc3n2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)NC1.
What is the InChIKey of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene?
The InChIKey is HXQHXYGPUQDKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N5O/c1-3-10-18(11-4-1)25-30-26(19-12-5-2-6-13-19)32-28(31-25)33-21-15-9-17-29-24(21)23-20-14-7-8-16-22(20)34-27(23)33/h1-16,29H,17H2.
What are the key properties of 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene?
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene has a molecular weight of 441.49 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-3,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),5,11,13,15-hexaene is sourced from PubChem (CID 118104823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).