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

C116H71N15 — CID 129198140

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

2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 129198140) has the molecular formula C116H71N15 and a molecular weight of 1674.95 g/mol. Its IUPAC name is 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 129198140
• Molecular Formula: C116H71N15
• Molecular Weight: 1674.95 g/mol
• Exact Mass: 1673.60
• IUPAC Name: 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc(-c%12nc(-c%13ccncc%13)nc(-c%13ccncc%13)n%12)c%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)c4)ccc32)cc1
• InChI: InChI=1S/C116H71N15/c1-4-18-86(19-5-1)127-101-28-12-10-26-91(101)95-64-77(32-40-103(95)127)80-36-44-107-99(68-80)100-69-81(37-45-108(100)131(107)90-25-15-17-85(63-90)116-125-113(74-50-58-119-59-51-74)122-114(126-116)75-52-60-120-61-53-75)79-34-42-105-98(67-79)94-39-31-83(71-110(94)129(105)88-22-8-3-9-23-88)82-30-38-93-97-66-78(33-41-104(97)128(109(93)70-82)87-20-6-2-7-21-87)76-35-43-106-96(65-76)92-27-11-13-29-102(92)130(106)89-24-14-16-84(62-89)115-123-111(72-46-54-117-55-47-72)121-112(124-115)73-48-56-118-57-49-73/h1-71H
• InChIKey: LIIIPIVAKILZPU-UHFFFAOYSA-N
• XLogP: 27.79
• TPSA: 153.55 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.95
LogP ≤ 5	27.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (CID 129198140) is 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

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

The canonical SMILES for 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc(-c%12nc(-c%13ccncc%13)nc(-c%13ccncc%13)n%12)c%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6ccncc6)nc(-c6ccncc6)n5)c4)ccc32)cc1.

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

The InChIKey is LIIIPIVAKILZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H71N15/c1-4-18-86(19-5-1)127-101-28-12-10-26-91(101)95-64-77(32-40-103(95)127)80-36-44-107-99(68-80)100-69-81(37-45-108(100)131(107)90-25-15-17-85(63-90)116-125-113(74-50-58-119-59-51-74)122-114(126-116)75-52-60-120-61-53-75)79-34-42-105-98(67-79)94-39-31-83(71-110(94)129(105)88-22-8-3-9-23-88)82-30-38-93-97-66-78(33-41-104(97)128(109(93)70-82)87-20-6-2-7-21-87)76-35-43-106-96(65-76)92-27-11-13-29-102(92)130(106)89-24-14-16-84(62-89)115-123-111(72-46-54-117-55-47-72)121-112(124-115)73-48-56-118-57-49-73/h1-71H.

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

2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1674.95 g/mol, XLogP of 27.79, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 129198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).