5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole

C101H63N11 — CID 129225113

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole (PubChem CID 129225113) has the molecular formula C101H63N11 and a molecular weight of 1430.69 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole
• PubChem CID: 129225113
• Molecular Formula: C101H63N11
• Molecular Weight: 1430.69 g/mol
• Exact Mass: 1429.53
• IUPAC Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c5ncccc54)c3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cccc(-c7ccc8c9ncccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)c65)c4)cc3)n2)cc1
• InChI: InChI=1S/C101H63N11/c1-5-24-65(25-6-1)86-63-87(72-31-18-35-75(59-72)109-90-46-22-56-102-94(90)84-54-52-70(61-92(84)109)78-40-20-42-82-80-38-13-15-44-88(80)111(96(78)82)74-33-11-4-12-34-74)105-98(104-86)68-50-48-64(49-51-68)69-30-17-37-77(58-69)112-89-45-16-14-39-81(89)83-43-21-41-79(97(83)112)71-53-55-85-93(62-71)110(91-47-23-57-103-95(85)91)76-36-19-32-73(60-76)101-107-99(66-26-7-2-8-27-66)106-100(108-101)67-28-9-3-10-29-67/h1-63H
• InChIKey: QLOCYFYOMYCOEU-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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole?

The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole (CID 129225113) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccc5c5ncccc54)c3)nc(-c3ccc(-c4cccc(-n5c6ccccc6c6cccc(-c7ccc8c9ncccc9n(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8c7)c65)c4)cc3)n2)cc1.

What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole?

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

What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole?

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[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 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-[9-[3-[4-[4-phenyl-6-[3-[7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indol-5-yl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazol-1-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 129225113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).