8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C69H39N13S3 — CID 144848454

About 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848454) has the molecular formula C69H39N13S3 and a molecular weight of 1146.36 g/mol. Its IUPAC name is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

• Compound Name: 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
• PubChem CID: 144848454
• Molecular Formula: C69H39N13S3
• Molecular Weight: 1146.36 g/mol
• Exact Mass: 1145.26
• IUPAC Name: 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ncccc4c4c5ccccc5sc43)n2)cc1.c1ccc(-c2nc(-n3c4ncccc4c4c5ccccc5sc43)nc(-n3c4ncccc4c4c5ccccc5sc43)n2)cc1
• InChI: InChI=1S/C35H19N7S2.C34H20N6S/c1-2-10-20(11-3-1)29-38-34(41-30-23(14-8-18-36-30)27-21-12-4-6-16-25(21)43-32(27)41)40-35(39-29)42-31-24(15-9-19-37-31)28-22-13-5-7-17-26(22)44-33(28)42;1-2-11-21(12-3-1)30-36-33(39-26-17-7-4-13-22(26)23-14-5-8-18-27(23)39)38-34(37-30)40-31-25(16-10-20-35-31)29-24-15-6-9-19-28(24)41-32(29)40/h1-19H;1-20H
• InChIKey: CQNAUMBPWWHBKF-UHFFFAOYSA-N
• XLogP: 17.29
• TPSA: 135.73 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1146.36
LogP ≤ 5	17.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848454) is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-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-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ncccc4c4c5ccccc5sc43)n2)cc1.c1ccc(-c2nc(-n3c4ncccc4c4c5ccccc5sc43)nc(-n3c4ncccc4c4c5ccccc5sc43)n2)cc1.

What is the InChIKey of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

The InChIKey is CQNAUMBPWWHBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N7S2.C34H20N6S/c1-2-10-20(11-3-1)29-38-34(41-30-23(14-8-18-36-30)27-21-12-4-6-16-25(21)43-32(27)41)40-35(39-29)42-31-24(15-9-19-37-31)28-22-13-5-7-17-26(22)44-33(28)42;1-2-11-21(12-3-1)30-36-33(39-26-17-7-4-13-22(26)23-14-5-8-18-27(23)39)38-34(37-30)40-31-25(16-10-20-35-31)29-24-15-6-9-19-28(24)41-32(29)40/h1-19H;1-20H.

What are the key properties of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?

8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 1146.36 g/mol, XLogP of 17.29, 6 rotatable bonds, 0 hydrogen bond donors, and 16 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-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene;8-[4-phenyl-6-(10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaen-8-yl)-1,3,5-triazin-2-yl]-10-thia-6,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).