1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C113H70N8S2 — CID 159158381

About 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 159158381) has the molecular formula C113H70N8S2 and a molecular weight of 1603.99 g/mol. Its IUPAC name is 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 159158381
• Molecular Formula: C113H70N8S2
• Molecular Weight: 1603.99 g/mol
• Exact Mass: 1602.52
• IUPAC Name: 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1
• InChI: InChI=1S/C45H27NS.C35H21N3S.C33H22N4/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;1-3-13-23(14-4-1)31-34-32(24-15-5-2-6-16-24)36-33(35-31)27-19-9-12-22-30(27)37-28-20-10-7-17-25(28)26-18-8-11-21-29(26)37/h1-27H;1-21H;1-22H
• InChIKey: KKEHZFMAKLEVPA-UHFFFAOYSA-N
• XLogP: 30.68
• TPSA: 79.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1603.99
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The IUPAC name of 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 159158381) is 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

What is the SMILES notation for 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The canonical SMILES for 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3c(-n4c5ccccc5c5ccccc54)nccc3c2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5nccc6c5sc5ccccc56)ccc34)ccc2c1.

What is the InChIKey of 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

The InChIKey is KKEHZFMAKLEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NS.C35H21N3S.C33H22N4/c1-3-11-30-25-32(19-17-28(30)9-1)42-36-14-5-6-15-37(36)43(33-20-18-29-10-2-4-12-31(29)26-33)40-27-34(21-22-38(40)42)44-45-39(23-24-46-44)35-13-7-8-16-41(35)47-45;1-5-13-29-23(9-1)24-10-2-6-14-30(24)37(29)22-17-18-33-28(21-22)27-19-20-36-35(34(27)39-33)38-31-15-7-3-11-25(31)26-12-4-8-16-32(26)38;1-3-13-23(14-4-1)31-34-32(24-15-5-2-6-16-24)36-33(35-31)27-19-9-12-22-30(27)37-28-20-10-7-17-25(28)26-18-8-11-21-29(26)37/h1-27H;1-21H;1-22H.

What are the key properties of 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?

1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1603.99 g/mol, XLogP of 30.68, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,6-di(carbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine;1-(9,10-dinaphthalen-2-ylanthracen-2-yl)-[1]benzothiolo[2,3-c]pyridine;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 159158381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).