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

C116H71N15 — CID 129198136

IUPAC2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc(-c%12nc(-c%13cccnc%13)nc(-c%13cccnc%13)n%12)c%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)c4)ccc32)cc1
InChIInChI=1S/C116H71N15/c1-4-26-86(27-5-1)127-101-36-12-10-34-91(101)95-60-73(40-48-103(95)127)76-44-52-107-99(64-76)100-65-77(45-53-108(100)131(107)90-33-15-21-81(59-90)112-123-115(84-24-18-56-119-70-84)126-116(124-112)85-25-19-57-120-71-85)75-42-50-105-98(63-75)94-47-39-79(67-110(94)129(105)88-30-8-3-9-31-88)78-38-46-93-97-62-74(41-49-104(97)128(109(93)66-78)87-28-6-2-7-29-87)72-43-51-106-96(61-72)92-35-11-13-37-102(92)130(106)89-32-14-20-80(58-89)111-121-113(82-22-16-54-117-68-82)125-114(122-111)83-23-17-55-118-69-83/h1-71H
InChIKeyNGAHVEBNZQGEMD-UHFFFAOYSA-N
MW1674.95 g/mol
LogP27.79
Rot. Bonds15

About 2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 129198136) 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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID129198136
Molecular FormulaC116H71N15
Molecular Weight1674.95 g/mol
Exact Mass1673.60
IUPAC Name2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccc(-c8ccc9c%10cc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11cccc(-c%12nc(-c%13cccnc%13)nc(-c%13cccnc%13)n%12)c%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)c4)ccc32)cc1
InChIInChI=1S/C116H71N15/c1-4-26-86(27-5-1)127-101-36-12-10-34-91(101)95-60-73(40-48-103(95)127)76-44-52-107-99(64-76)100-65-77(45-53-108(100)131(107)90-33-15-21-81(59-90)112-123-115(84-24-18-56-119-70-84)126-116(124-112)85-25-19-57-120-71-85)75-42-50-105-98(63-75)94-47-39-79(67-110(94)129(105)88-30-8-3-9-31-88)78-38-46-93-97-62-74(41-49-104(97)128(109(93)66-78)87-28-6-2-7-29-87)72-43-51-106-96(61-72)92-35-11-13-37-102(92)130(106)89-32-14-20-80(58-89)111-121-113(82-22-16-54-117-68-82)125-114(122-111)83-23-17-55-118-69-83/h1-71H
InChIKeyNGAHVEBNZQGEMD-UHFFFAOYSA-N
XLogP27.79
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.95
LogP ≤ 527.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole (CID 129198136) is 2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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%13cccnc%13)nc(-c%13cccnc%13)n%12)c%11)ccc%10n(-c%10ccccc%10)c9c8)cc6n7-c6ccccc6)ccc4n5-c4cccc(-c5nc(-c6cccnc6)nc(-c6cccnc6)n5)c4)ccc32)cc1.
What is the InChIKey of 2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is NGAHVEBNZQGEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H71N15/c1-4-26-86(27-5-1)127-101-36-12-10-34-91(101)95-60-73(40-48-103(95)127)76-44-52-107-99(64-76)100-65-77(45-53-108(100)131(107)90-33-15-21-81(59-90)112-123-115(84-24-18-56-119-70-84)126-116(124-112)85-25-19-57-120-71-85)75-42-50-105-98(63-75)94-47-39-79(67-110(94)129(105)88-30-8-3-9-31-88)78-38-46-93-97-62-74(41-49-104(97)128(109(93)66-78)87-28-6-2-7-29-87)72-43-51-106-96(61-72)92-35-11-13-37-102(92)130(106)89-32-14-20-80(58-89)111-121-113(82-22-16-54-117-68-82)125-114(122-111)83-23-17-55-118-69-83/h1-71H.
What are the key properties of 2-[6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-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-3-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazol-2-yl]-6-[9-[3-(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 129198136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).