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

C114H68N10OS — CID 129253559

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

6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 129253559) has the molecular formula C114H68N10OS and a molecular weight of 1625.93 g/mol. Its IUPAC name is 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

• Compound Name: 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
• PubChem CID: 129253559
• Molecular Formula: C114H68N10OS
• Molecular Weight: 1625.93 g/mol
• Exact Mass: 1624.53
• IUPAC Name: 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccc8c(c7)c7cc(-c9cccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11sc%12ccncc%12c%11c%10)n9)ccc7n8-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c7oc8ccncc8c7c6)n5)ccc43)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C114H68N10OS/c1-5-21-69(22-6-1)99-63-80(64-100(119-99)70-23-7-2-8-24-70)123-105-38-18-15-31-84(105)88-58-76(42-48-108(88)123)97-33-19-32-96(117-97)75-41-47-107-87(57-75)83-30-14-17-37-104(83)122(107)79-61-85(114-92(62-79)93-67-115-53-51-111(93)125-114)73-39-45-109-89(55-73)90-59-77(43-49-110(90)124(109)81-65-101(71-25-9-3-10-26-71)120-102(66-81)72-27-11-4-12-28-72)98-35-20-34-95(118-98)74-40-46-106-86(56-74)82-29-13-16-36-103(82)121(106)78-44-50-112-91(60-78)94-68-116-54-52-113(94)126-112/h1-68H
• InChIKey: UKLJGCHLQKLTNZ-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 110.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.93
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine (CID 129253559) is 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine.

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

The canonical SMILES for 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6cc(-c7ccc8c(c7)c7cc(-c9cccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccc%11sc%12ccncc%12c%11c%10)n9)ccc7n8-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)c7oc8ccncc8c7c6)n5)ccc43)cc(-c3ccccc3)n2)cc1.

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

The InChIKey is UKLJGCHLQKLTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N10OS/c1-5-21-69(22-6-1)99-63-80(64-100(119-99)70-23-7-2-8-24-70)123-105-38-18-15-31-84(105)88-58-76(42-48-108(88)123)97-33-19-32-96(117-97)75-41-47-107-87(57-75)83-30-14-17-37-104(83)122(107)79-61-85(114-92(62-79)93-67-115-53-51-111(93)125-114)73-39-45-109-89(55-73)90-59-77(43-49-110(90)124(109)81-65-101(71-25-9-3-10-26-71)120-102(66-81)72-27-11-4-12-28-72)98-35-20-34-95(118-98)74-40-46-106-86(56-74)82-29-13-16-36-103(82)121(106)78-44-50-112-91(60-78)94-68-116-54-52-113(94)126-112/h1-68H.

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

6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 1625.93 g/mol, XLogP of 29.72, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[6-[9-([1]benzothiolo[3,2-c]pyridin-8-yl)carbazol-3-yl]-2-pyridinyl]-9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-8-[3-[6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 129253559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).