2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

C130H75N15 — CID 167055280

IUPAC2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C#N)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C#N)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C#N)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C130H75N15/c131-76-86-39-13-17-43-95(86)109-68-90(129-137-125(80-31-5-1-6-32-80)135-126(138-129)81-33-7-2-8-34-81)69-110(96-44-18-14-40-87(96)77-132)123(109)144-118-63-58-84(67-105(118)106-73-92(59-64-119(106)144)141-113-52-26-21-47-99(113)100-48-22-27-53-114(100)141)85-57-62-104-103-51-25-30-56-117(103)143(122(104)72-85)94-61-66-121-108(75-94)107-74-93(142-115-54-28-23-49-101(115)102-50-24-29-55-116(102)142)60-65-120(107)145(121)124-111(97-45-19-15-41-88(97)78-133)70-91(71-112(124)98-46-20-16-42-89(98)79-134)130-139-127(82-35-9-3-10-36-82)136-128(140-130)83-37-11-4-12-38-83/h1-75H
InChIKeyBBMUDZFYCMCQSQ-UHFFFAOYSA-N
MW1847.13 g/mol
LogP31.37
Rot. Bonds16

About 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile

2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (PubChem CID 167055280) has the molecular formula C130H75N15 and a molecular weight of 1847.13 g/mol. Its IUPAC name is 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
PubChem CID167055280
Molecular FormulaC130H75N15
Molecular Weight1847.13 g/mol
Exact Mass1845.63
IUPAC Name2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C#N)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C#N)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C#N)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C130H75N15/c131-76-86-39-13-17-43-95(86)109-68-90(129-137-125(80-31-5-1-6-32-80)135-126(138-129)81-33-7-2-8-34-81)69-110(96-44-18-14-40-87(96)77-132)123(109)144-118-63-58-84(67-105(118)106-73-92(59-64-119(106)144)141-113-52-26-21-47-99(113)100-48-22-27-53-114(100)141)85-57-62-104-103-51-25-30-56-117(103)143(122(104)72-85)94-61-66-121-108(75-94)107-74-93(142-115-54-28-23-49-101(115)102-50-24-29-55-116(102)142)60-65-120(107)145(121)124-111(97-45-19-15-41-88(97)78-133)70-91(71-112(124)98-46-20-16-42-89(98)79-134)130-139-127(82-35-9-3-10-36-82)136-128(140-130)83-37-11-4-12-38-83/h1-75H
InChIKeyBBMUDZFYCMCQSQ-UHFFFAOYSA-N
XLogP31.37
TPSA197.15 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.13
LogP ≤ 531.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile with MolForge

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Related Compounds

3-carbazol-9-yl-6-[2-[6-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 167055278
2-[3-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
2-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 155447170
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
2-[3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155656790
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
2-[2-[3-[5-[3-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 167055292
2-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 161320065
2-[9-[2,6-bis(3-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155447205
3-[3-(3-cyanophenyl)-2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155446453
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The IUPAC name of 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile (CID 167055280) is 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is N#Cc1ccccc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C#N)c1-n1c2ccc(-c3ccc4c5ccccc5n(-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)ccc5n6-c5c(-c6ccccc6C#N)cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5-c5ccccc5C#N)c4c3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
The InChIKey is BBMUDZFYCMCQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H75N15/c131-76-86-39-13-17-43-95(86)109-68-90(129-137-125(80-31-5-1-6-32-80)135-126(138-129)81-33-7-2-8-34-81)69-110(96-44-18-14-40-87(96)77-132)123(109)144-118-63-58-84(67-105(118)106-73-92(59-64-119(106)144)141-113-52-26-21-47-99(113)100-48-22-27-53-114(100)141)85-57-62-104-103-51-25-30-56-117(103)143(122(104)72-85)94-61-66-121-108(75-94)107-74-93(142-115-54-28-23-49-101(115)102-50-24-29-55-116(102)142)60-65-120(107)145(121)124-111(97-45-19-15-41-88(97)78-133)70-91(71-112(124)98-46-20-16-42-89(98)79-134)130-139-127(82-35-9-3-10-36-82)136-128(140-130)83-37-11-4-12-38-83/h1-75H.
What are the key properties of 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile?
2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile has a molecular weight of 1847.13 g/mol, XLogP of 31.37, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[9-[9-[2,6-bis(2-cyanophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-carbazol-9-ylcarbazol-3-yl]carbazol-2-yl]-6-carbazol-9-ylcarbazol-9-yl]-3-(2-cyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 167055280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).