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

C106H63N13O — CID 129253538

About 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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 129253538) has the molecular formula C106H63N13O and a molecular weight of 1534.76 g/mol. Its IUPAC name is 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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: 129253538
• Molecular Formula: C106H63N13O
• Molecular Weight: 1534.76 g/mol
• Exact Mass: 1533.53
• IUPAC Name: 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncccc9n%10-c9ccccc9)cc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6oc7cccnc7c6c5)cc43)n2)cc1
• InChI: InChI=1S/C106H63N13O/c1-6-24-64(25-7-1)101-109-102(65-26-8-2-9-27-65)112-105(111-101)118-89-39-21-16-34-76(89)79-48-42-70(58-94(79)118)69-46-52-91-84(57-69)78-36-18-20-38-88(78)117(91)75-62-82(100-86(63-75)99-97(120-100)41-23-55-108-99)72-44-50-81-80-49-43-71(59-95(80)119(96(81)60-72)106-113-103(66-28-10-3-11-29-66)110-104(114-106)67-30-12-4-13-31-67)68-45-51-90-83(56-68)77-35-17-19-37-87(77)116(90)74-47-53-92-85(61-74)98-93(40-22-54-107-98)115(92)73-32-14-5-15-33-73/h1-63H
• InChIKey: JPEFMODUAVRLLG-UHFFFAOYSA-N
• XLogP: 25.90
• TPSA: 140.91 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.76
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[9-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-3-yl]carbazol-2-yl]-[1]benzofuro[3,2-b]pyridine (CID 129253538) is 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6ccc7c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10c(c9)c9ncccc9n%10-c9ccccc9)cc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c6oc7cccnc7c6c5)cc43)n2)cc1.

What is the InChIKey of 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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 JPEFMODUAVRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H63N13O/c1-6-24-64(25-7-1)101-109-102(65-26-8-2-9-27-65)112-105(111-101)118-89-39-21-16-34-76(89)79-48-42-70(58-94(79)118)69-46-52-91-84(57-69)78-36-18-20-38-88(78)117(91)75-62-82(100-86(63-75)99-97(120-100)41-23-55-108-99)72-44-50-81-80-49-43-71(59-95(80)119(96(81)60-72)106-113-103(66-28-10-3-11-29-66)110-104(114-106)67-30-12-4-13-31-67)68-45-51-90-83(56-68)77-35-17-19-37-87(77)116(90)74-47-53-92-85(61-74)98-93(40-22-54-107-98)115(92)73-32-14-5-15-33-73/h1-63H.

What are the key properties of 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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 1534.76 g/mol, XLogP of 25.90, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]carbazol-9-yl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-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 129253538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).