8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene

C66H38N16S3 — CID 144848443

About 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (PubChem CID 144848443) has the molecular formula C66H38N16S3 and a molecular weight of 1151.34 g/mol. Its IUPAC name is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
• PubChem CID: 144848443
• Molecular Formula: C66H38N16S3
• Molecular Weight: 1151.34 g/mol
• Exact Mass: 1150.26
• IUPAC Name: 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
• SMILES: Cn1ncc2c1c1c3ccccc3sc1n2-c1nc(-c2ccccc2)nc(-n2c3cncnc3c3c4ccccc4sc32)n1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cncnc4c4c5ccccc5sc43)n2)cc1
• InChI: InChI=1S/C33H19N9S2.C33H19N7S/c1-40-28-22(16-36-40)42(31-26(28)20-12-6-8-14-24(20)44-31)33-38-29(18-9-3-2-4-10-18)37-32(39-33)41-21-15-34-17-35-27(21)25-19-11-5-7-13-23(19)43-30(25)41;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/h2-17H,1H3;1-19H
• InChIKey: XVBSBIGHUQMGIT-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 166.44 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.34
LogP ≤ 5	15.42
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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene (CID 144848443) is 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene is Cn1ncc2c1c1c3ccccc3sc1n2-c1nc(-c2ccccc2)nc(-n2c3cncnc3c3c4ccccc4sc32)n1.c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc(-n3c4cncnc4c4c5ccccc5sc43)n2)cc1.

What is the InChIKey of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene?

The InChIKey is XVBSBIGHUQMGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N9S2.C33H19N7S/c1-40-28-22(16-36-40)42(31-26(28)20-12-6-8-14-24(20)44-31)33-38-29(18-9-3-2-4-10-18)37-32(39-33)41-21-15-34-17-35-27(21)25-19-11-5-7-13-23(19)43-30(25)41;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/h2-17H,1H3;1-19H.

What are the key properties of 8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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 1151.34 g/mol, XLogP of 15.42, 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-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-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 144848443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).