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

C35H19N7O2 — CID 144848479

IUPAC8-[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
SMILESc1ccc(-c2nc(-n3c4cccnc4c4c5ccccc5oc43)nc(-n3c4cccnc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C35H19N7O2/c1-2-10-20(11-3-1)31-38-34(41-23-14-8-18-36-29(23)27-21-12-4-6-16-25(21)43-32(27)41)40-35(39-31)42-24-15-9-19-37-30(24)28-22-13-5-7-17-26(22)44-33(28)42/h1-19H
InChIKeyWITXBGRNSRQGDJ-UHFFFAOYSA-N
MW569.58 g/mol
LogP8.02
Rot. Bonds3

About 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

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 (PubChem CID 144848479) has the molecular formula C35H19N7O2 and a molecular weight of 569.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID144848479
Molecular FormulaC35H19N7O2
Molecular Weight569.58 g/mol
Exact Mass569.16
IUPAC Name8-[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
SMILESc1ccc(-c2nc(-n3c4cccnc4c4c5ccccc5oc43)nc(-n3c4cccnc4c4c5ccccc5oc43)n2)cc1
InChIInChI=1S/C35H19N7O2/c1-2-10-20(11-3-1)31-38-34(41-23-14-8-18-36-29(23)27-21-12-4-6-16-25(21)43-32(27)41)40-35(39-31)42-24-15-9-19-37-30(24)28-22-13-5-7-17-26(22)44-33(28)42/h1-19H
InChIKeyWITXBGRNSRQGDJ-UHFFFAOYSA-N
XLogP8.02
TPSA100.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.58
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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-(2-phenylpyrimidin-4-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 144848550
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
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
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
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
9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;9-[3-(3,5-diphenylphenyl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]indole;6-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]indole;methane
CID 158582109
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
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-n3c4cccnc4c4c5ccccc5oc43)nc(-n3c4cccnc4c4c5ccccc5oc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WITXBGRNSRQGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N7O2/c1-2-10-20(11-3-1)31-38-34(41-23-14-8-18-36-29(23)27-21-12-4-6-16-25(21)43-32(27)41)40-35(39-31)42-24-15-9-19-37-30(24)28-22-13-5-7-17-26(22)44-33(28)42/h1-19H.
What are the key properties of 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?
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 has a molecular weight of 569.58 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 144848479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).