8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine

C108H65N11S — CID 129253564

About 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine

8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 129253564) has the molecular formula C108H65N11S and a molecular weight of 1548.85 g/mol. Its IUPAC name is 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
• PubChem CID: 129253564
• Molecular Formula: C108H65N11S
• Molecular Weight: 1548.85 g/mol
• Exact Mass: 1547.51
• IUPAC Name: 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine
• SMILES: c1ccc(-c2cc(-n3c4ccc(-c5ccc6c7ccc(-c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)c9c8)cc7n(-c7ccc8c(c7)c7ncccc7n8-c7ccccc7)c6c5)cc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8sc9cccnc9c8c7)c6c5)cc43)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C108H65N11S/c1-6-22-66(23-7-1)89-64-90(67-24-8-2-9-25-67)113-108(112-89)119-93-35-19-17-33-80(93)82-47-40-75(61-101(82)119)73-41-49-84-83-48-38-71(57-98(83)117(99(84)59-73)77-44-52-95-87(62-77)105-96(36-20-54-109-105)115(95)76-30-14-5-15-31-76)70-43-51-94-86(56-70)85-50-42-74(60-100(85)118(94)104-65-91(68-26-10-3-11-27-68)111-107(114-104)69-28-12-4-13-29-69)72-39-46-81-79-32-16-18-34-92(79)116(97(81)58-72)78-45-53-102-88(63-78)106-103(120-102)37-21-55-110-106/h1-65H
• InChIKey: YJLXOWZWJFIAGB-UHFFFAOYSA-N
• XLogP: 27.58
• TPSA: 101.99 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.85
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine?

The IUPAC name of 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine (CID 129253564) is 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine.

What is the SMILES notation for 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine?

The canonical SMILES for 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cc(-n3c4ccc(-c5ccc6c7ccc(-c8ccc9c%10ccccc%10n(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)c9c8)cc7n(-c7ccc8c(c7)c7ncccc7n8-c7ccccc7)c6c5)cc4c4ccc(-c5ccc6c7ccccc7n(-c7ccc8sc9cccnc9c8c7)c6c5)cc43)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine?

The InChIKey is YJLXOWZWJFIAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H65N11S/c1-6-22-66(23-7-1)89-64-90(67-24-8-2-9-25-67)113-108(112-89)119-93-35-19-17-33-80(93)82-47-40-75(61-101(82)119)73-41-49-84-83-48-38-71(57-98(83)117(99(84)59-73)77-44-52-95-87(62-77)105-96(36-20-54-109-105)115(95)76-30-14-5-15-31-76)70-43-51-94-86(56-70)85-50-42-74(60-100(85)118(94)104-65-91(68-26-10-3-11-27-68)111-107(114-104)69-28-12-4-13-29-69)72-39-46-81-79-32-16-18-34-92(79)116(97(81)58-72)78-45-53-102-88(63-78)106-103(120-102)37-21-55-110-106/h1-65H.

What are the key properties of 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine?

8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 1548.85 g/mol, XLogP of 27.58, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[9-(2,6-diphenylpyrimidin-4-yl)-6-[7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-2-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 129253564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).