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

C108H65N11O — CID 129253594

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

8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 129253594) has the molecular formula C108H65N11O and a molecular weight of 1532.78 g/mol. Its IUPAC name is 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 129253594
• Molecular Formula: C108H65N11O
• Molecular Weight: 1532.78 g/mol
• Exact Mass: 1531.54
• IUPAC Name: 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncccc9n%10-c9ccccc9)cc8n(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6oc7cccnc7c6c5)cc43)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C108H65N11O/c1-6-24-66(25-7-1)89-64-102(113-107(111-89)68-28-10-3-11-29-68)118-93-39-21-16-34-78(93)81-48-42-72(58-98(81)118)71-46-52-95-86(57-71)80-36-18-20-38-92(80)117(95)77-62-84(106-88(63-77)105-101(120-106)41-23-55-110-105)74-44-50-83-82-49-43-73(59-99(82)119(100(83)60-74)103-65-90(67-26-8-2-9-27-67)112-108(114-103)69-30-12-4-13-31-69)70-45-51-94-85(56-70)79-35-17-19-37-91(79)116(94)76-47-53-96-87(61-76)104-97(40-22-54-109-104)115(96)75-32-14-5-15-33-75/h1-65H
• InChIKey: NPPMGQOWKCAFRL-UHFFFAOYSA-N
• XLogP: 27.11
• TPSA: 115.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.78
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine (CID 129253594) is 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine.

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

The canonical SMILES for 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncccc9n%10-c9ccccc9)cc8n(-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6oc7cccnc7c6c5)cc43)nc(-c3ccccc3)n2)cc1.

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

The InChIKey is NPPMGQOWKCAFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H65N11O/c1-6-24-66(25-7-1)89-64-102(113-107(111-89)68-28-10-3-11-29-68)118-93-39-21-16-34-78(93)81-48-42-72(58-98(81)118)71-46-52-95-86(57-71)80-36-18-20-38-92(80)117(95)77-62-84(106-88(63-77)105-101(120-106)41-23-55-110-105)74-44-50-83-82-49-43-73(59-99(82)119(100(83)60-74)103-65-90(67-26-8-2-9-27-67)112-108(114-103)69-30-12-4-13-31-69)70-45-51-94-85(56-70)79-35-17-19-37-91(79)116(94)76-47-53-96-87(61-76)104-97(40-22-54-109-104)115(96)75-32-14-5-15-33-75/h1-65H.

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

8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1532.78 g/mol, XLogP of 27.11, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(2,6-diphenylpyrimidin-4-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 129253594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).