8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole

C101H63N11 — CID 129223651

About 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole

8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole (PubChem CID 129223651) has the molecular formula C101H63N11 and a molecular weight of 1430.69 g/mol. Its IUPAC name is 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
• PubChem CID: 129223651
• Molecular Formula: C101H63N11
• Molecular Weight: 1430.69 g/mol
• Exact Mass: 1429.53
• IUPAC Name: 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ncccc%11n%12-c%11ccccc%11)c%109)cc8)n7)c6)ccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c54)cc3)n2)cc1
• InChI: InChI=1S/C101H63N11/c1-6-24-64(25-7-1)85-63-86(65-26-8-2-9-27-65)105-98(104-85)67-44-52-76(53-45-67)112-88-41-19-17-37-82(88)93-77(54-55-79(97(93)112)71-49-57-90-84(62-71)95-92(43-23-59-103-95)110(90)74-34-14-5-15-35-74)69-30-20-31-72(60-69)101-107-99(66-28-10-3-11-29-66)106-100(108-101)68-46-50-75(51-47-68)111-87-40-18-16-36-80(87)81-39-21-38-78(96(81)111)70-48-56-89-83(61-70)94-91(42-22-58-102-94)109(89)73-32-12-4-13-33-73/h1-63H
• InChIKey: LHBCJVNGVKWZPJ-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1430.69
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole (CID 129223651) is 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole.

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

The canonical SMILES for 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc(-n9c%10ccccc%10c%10cccc(-c%11ccc%12c(c%11)c%11ncccc%11n%12-c%11ccccc%11)c%109)cc8)n7)c6)ccc(-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)c54)cc3)n2)cc1.

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

The InChIKey is LHBCJVNGVKWZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H63N11/c1-6-24-64(25-7-1)85-63-86(65-26-8-2-9-27-65)105-98(104-85)67-44-52-76(53-45-67)112-88-41-19-17-37-82(88)93-77(54-55-79(97(93)112)71-49-57-90-84(62-71)95-92(43-23-59-103-95)110(90)74-34-14-5-15-35-74)69-30-20-31-72(60-69)101-107-99(66-28-10-3-11-29-66)106-100(108-101)68-46-50-75(51-47-68)111-87-40-18-16-36-80(87)81-39-21-38-78(96(81)111)70-48-56-89-83(61-70)94-91(42-22-58-102-94)109(89)73-32-12-4-13-33-73/h1-63H.

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

8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole has a molecular weight of 1430.69 g/mol, XLogP of 24.84, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-[3-[4-phenyl-6-[4-[1-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole is sourced from PubChem (CID 129223651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).