4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

C127H74F12N14 — CID 146428965

IUPAC4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cc(Cc2cccc3c2c2ccccc2n3-c2ccncc2-c2cc(C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C#N)cc1-c1cnccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C127H74F12N14/c1-72-56-74(57-73(2)114(72)84-44-51-108-93(65-84)91-35-17-21-39-106(91)152(108)116-96(100-70-142-54-52-111(100)150-104-37-19-15-33-89(104)90-34-16-20-38-105(90)150)59-75(68-140)61-98(116)122-146-118(77-24-7-3-8-25-77)144-119(147-122)78-26-9-4-10-27-78)58-83-32-23-41-113-115(83)92-36-18-22-40-107(92)151(113)112-53-55-143-71-101(112)97-60-76(69-141)62-99(123-148-120(79-28-11-5-12-29-79)145-121(149-123)80-30-13-6-14-31-80)117(97)153-109-49-42-81(87-47-45-85(124(128,129)130)66-102(87)126(134,135)136)63-94(109)95-64-82(43-50-110(95)153)88-48-46-86(125(131,132)133)67-103(88)127(137,138)139/h3-57,59-67,70-71H,58H2,1-2H3
InChIKeyJBBQRQGJJTWYIN-UHFFFAOYSA-N
MW2024.06 g/mol
LogP33.60
Rot. Bonds17

About 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile

4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 146428965) has the molecular formula C127H74F12N14 and a molecular weight of 2024.06 g/mol. Its IUPAC name is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID146428965
Molecular FormulaC127H74F12N14
Molecular Weight2024.06 g/mol
Exact Mass2022.60
IUPAC Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1cc(Cc2cccc3c2c2ccccc2n3-c2ccncc2-c2cc(C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C#N)cc1-c1cnccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C127H74F12N14/c1-72-56-74(57-73(2)114(72)84-44-51-108-93(65-84)91-35-17-21-39-106(91)152(108)116-96(100-70-142-54-52-111(100)150-104-37-19-15-33-89(104)90-34-16-20-38-105(90)150)59-75(68-140)61-98(116)122-146-118(77-24-7-3-8-25-77)144-119(147-122)78-26-9-4-10-27-78)58-83-32-23-41-113-115(83)92-36-18-22-40-107(92)151(113)112-53-55-143-71-101(112)97-60-76(69-141)62-99(123-148-120(79-28-11-5-12-29-79)145-121(149-123)80-30-13-6-14-31-80)117(97)153-109-49-42-81(87-47-45-85(124(128,129)130)66-102(87)126(134,135)136)63-94(109)95-64-82(43-50-110(95)153)88-48-46-86(125(131,132)133)67-103(88)127(137,138)139/h3-57,59-67,70-71H,58H2,1-2H3
InChIKeyJBBQRQGJJTWYIN-UHFFFAOYSA-N
XLogP33.60
TPSA170.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.06
LogP ≤ 533.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 146428965) is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is Cc1cc(Cc2cccc3c2c2ccccc2n3-c2ccncc2-c2cc(C#N)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(C)c1-c1ccc2c(c1)c1ccccc1n2-c1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C#N)cc1-c1cnccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is JBBQRQGJJTWYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H74F12N14/c1-72-56-74(57-73(2)114(72)84-44-51-108-93(65-84)91-35-17-21-39-106(91)152(108)116-96(100-70-142-54-52-111(100)150-104-37-19-15-33-89(104)90-34-16-20-38-105(90)150)59-75(68-140)61-98(116)122-146-118(77-24-7-3-8-25-77)144-119(147-122)78-26-9-4-10-27-78)58-83-32-23-41-113-115(83)92-36-18-22-40-107(92)151(113)112-53-55-143-71-101(112)97-60-76(69-141)62-99(123-148-120(79-28-11-5-12-29-79)145-121(149-123)80-30-13-6-14-31-80)117(97)153-109-49-42-81(87-47-45-85(124(128,129)130)66-102(87)126(134,135)136)63-94(109)95-64-82(43-50-110(95)153)88-48-46-86(125(131,132)133)67-103(88)127(137,138)139/h3-57,59-67,70-71H,58H2,1-2H3.
What are the key properties of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 2024.06 g/mol, XLogP of 33.60, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[4-[4-[[4-[9-[2-(4-carbazol-9-yl-3-pyridinyl)-4-cyano-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3,5-dimethylphenyl]methyl]carbazol-9-yl]-3-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 146428965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).