4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine

C110H66N8S2 — CID 129253601

About 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine

4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine (PubChem CID 129253601) has the molecular formula C110H66N8S2 and a molecular weight of 1563.93 g/mol. Its IUPAC name is 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
• PubChem CID: 129253601
• Molecular Formula: C110H66N8S2
• Molecular Weight: 1563.93 g/mol
• Exact Mass: 1562.49
• IUPAC Name: 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc4n5-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8sc9cccnc9c8c7)c6c5)ccc43)c2)cc1
• InChI: InChI=1S/C110H66N8S2/c1-4-19-67(20-5-1)78-60-93(71-23-8-3-9-24-71)113-106(64-78)117-96-30-15-11-26-84(96)90-59-75(44-52-99(90)117)77-41-49-87-91-57-73(42-50-98(91)115(102(87)63-77)80-45-38-70(39-46-80)82-54-56-112-109-88-28-13-17-32-103(88)120-110(82)109)69-34-36-72(37-35-69)94-61-79(68-21-6-2-7-22-68)65-107(114-94)118-97-31-16-12-27-85(97)89-58-74(43-51-100(89)118)76-40-48-86-83-25-10-14-29-95(83)116(101(86)62-76)81-47-53-104-92(66-81)108-105(119-104)33-18-55-111-108/h1-66H
• InChIKey: WJVFAQAGDAFDRZ-UHFFFAOYSA-N
• XLogP: 29.73
• TPSA: 71.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1563.93
LogP ≤ 5	29.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine?

The IUPAC name of 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine (CID 129253601) is 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine.

What is the SMILES notation for 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine?

The canonical SMILES for 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)c4ccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccccc7)cc(-c7ccccc7)n6)cc4n5-c4ccc(-c5ccnc6c5sc5ccccc56)cc4)cc3)nc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8sc9cccnc9c8c7)c6c5)ccc43)c2)cc1.

What is the InChIKey of 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine?

The InChIKey is WJVFAQAGDAFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H66N8S2/c1-4-19-67(20-5-1)78-60-93(71-23-8-3-9-24-71)113-106(64-78)117-96-30-15-11-26-84(96)90-59-75(44-52-99(90)117)77-41-49-87-91-57-73(42-50-98(91)115(102(87)63-77)80-45-38-70(39-46-80)82-54-56-112-109-88-28-13-17-32-103(88)120-110(82)109)69-34-36-72(37-35-69)94-61-79(68-21-6-2-7-22-68)65-107(114-94)118-97-31-16-12-27-85(97)89-58-74(43-51-100(89)118)76-40-48-86-83-25-10-14-29-95(83)116(101(86)62-76)81-47-53-104-92(66-81)108-105(119-104)33-18-55-111-108/h1-66H.

What are the key properties of 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine?

4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 1563.93 g/mol, XLogP of 29.73, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-[4-[6-[3-[9-([1]benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 129253601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).