2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole

C118H73N13 — CID 163560758

About 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole

2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 163560758) has the molecular formula C118H73N13 and a molecular weight of 1672.97 g/mol. Its IUPAC name is 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 163560758
• Molecular Formula: C118H73N13
• Molecular Weight: 1672.97 g/mol
• Exact Mass: 1671.61
• IUPAC Name: 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)ccc%11n%12-c%11ccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)nc%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc54)cn3)n2)cc1
• InChI: InChI=1S/C118H73N13/c1-8-26-74(27-9-1)113-121-114(75-28-10-2-11-29-75)124-117(123-113)101-56-52-89(72-119-101)130-104-43-25-23-41-92(104)96-65-78(49-61-108(96)130)80-47-59-106-97(66-80)93-54-44-84(70-111(93)128(106)87-36-18-6-19-37-87)85-45-55-94-98-67-81(48-60-107(98)129(112(94)71-85)88-38-20-7-21-39-88)83-51-63-110-100(69-83)99-68-82(79-46-58-105-95(64-79)91-40-22-24-42-103(91)127(105)86-34-16-5-17-35-86)50-62-109(99)131(110)90-53-57-102(120-73-90)118-125-115(76-30-12-3-13-31-76)122-116(126-118)77-32-14-4-15-33-77/h1-73H
• InChIKey: FRAJZRZXEKVLFK-UHFFFAOYSA-N
• XLogP: 29.00
• TPSA: 127.77 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1672.97
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (CID 163560758) is 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11cc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)ccc%11n%12-c%11ccc(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)nc%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc54)cn3)n2)cc1.

What is the InChIKey of 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is FRAJZRZXEKVLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H73N13/c1-8-26-74(27-9-1)113-121-114(75-28-10-2-11-29-75)124-117(123-113)101-56-52-89(72-119-101)130-104-43-25-23-41-92(104)96-65-78(49-61-108(96)130)80-47-59-106-97(66-80)93-54-44-84(70-111(93)128(106)87-36-18-6-19-37-87)85-45-55-94-98-67-81(48-60-107(98)129(112(94)71-85)88-38-20-7-21-39-88)83-51-63-110-100(69-83)99-68-82(79-46-58-105-95(64-79)91-40-22-24-42-103(91)127(105)86-34-16-5-17-35-86)50-62-109(99)131(110)90-53-57-102(120-73-90)118-125-115(76-30-12-3-13-31-76)122-116(126-118)77-32-14-4-15-33-77/h1-73H.

What are the key properties of 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?

2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1672.97 g/mol, XLogP of 29.00, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridinyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 163560758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).