8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

C66H36N16O3 — CID 144848515

About 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (PubChem CID 144848515) has the molecular formula C66H36N16O3 and a molecular weight of 1101.12 g/mol. Its IUPAC name is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.

Molecular Properties

• Compound Name: 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
• PubChem CID: 144848515
• Molecular Formula: C66H36N16O3
• Molecular Weight: 1101.12 g/mol
• Exact Mass: 1100.32
• IUPAC Name: 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cncnc4c4c5ccccc5oc43)n2)cc1.c1ccc(-c2nc(-n3c4cncnc4c4c5ccccc5oc43)nc(-n3c4cncnc4c4c5ccccc5oc43)n2)cc1
• InChI: InChI=1S/C33H17N9O2.C33H19N7O/c1-2-8-18(9-3-1)29-38-32(41-21-14-34-16-36-27(21)25-19-10-4-6-12-23(19)43-30(25)41)40-33(39-29)42-22-15-35-17-37-28(22)26-20-11-5-7-13-24(20)44-31(26)42;1-2-10-20(11-3-1)30-36-32(39-24-15-7-4-12-21(24)22-13-5-8-16-25(22)39)38-33(37-30)40-26-18-34-19-35-29(26)28-23-14-6-9-17-27(23)41-31(28)40/h1-17H;1-19H
• InChIKey: POXVXHUBOLLJLI-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 213.82 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1101.12
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?

The IUPAC name of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-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 144848515) is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene.

What is the SMILES notation for 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?

The canonical SMILES for 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cncnc4c4c5ccccc5oc43)n2)cc1.c1ccc(-c2nc(-n3c4cncnc4c4c5ccccc5oc43)nc(-n3c4cncnc4c4c5ccccc5oc43)n2)cc1.

What is the InChIKey of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?

The InChIKey is POXVXHUBOLLJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H17N9O2.C33H19N7O/c1-2-8-18(9-3-1)29-38-32(41-21-14-34-16-36-27(21)25-19-10-4-6-12-23(19)43-30(25)41)40-33(39-29)42-22-15-35-17-37-28(22)26-20-11-5-7-13-24(20)44-31(26)42;1-2-10-20(11-3-1)30-36-32(39-24-15-7-4-12-21(24)22-13-5-8-16-25(22)39)38-33(37-30)40-26-18-34-19-35-29(26)28-23-14-6-9-17-27(23)41-31(28)40/h1-17H;1-19H.

What are the key properties of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?

8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene has a molecular weight of 1101.12 g/mol, XLogP of 14.07, 6 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaen-8-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-oxa-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 144848515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).