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

C122H68F12N10 — CID 137392576

IUPAC4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C122H68F12N10/c123-119(124,125)81-52-56-94(120(126,127)128)89(66-81)91-67-110(143-104-44-16-13-32-82(104)85-53-48-77(62-112(85)143)102-43-23-40-99(139-102)73-28-9-3-10-29-73)79(69-135)64-114(91)144-105-45-17-14-33-83(105)86-54-49-78(63-113(86)144)118-88(55-57-103(140-118)74-30-11-4-12-31-74)87-35-19-47-109-116(87)92-61-76(101-42-22-39-98(138-101)72-26-7-2-8-27-72)51-59-108(92)142(109)111-68-93(117-95(121(129,130)131)36-20-37-96(117)122(132,133)134)115(65-80(111)70-136)141-106-46-18-15-34-84(106)90-60-75(50-58-107(90)141)100-41-21-38-97(137-100)71-24-5-1-6-25-71/h1-68H
InChIKeyTXQSCMBEZFKQGY-UHFFFAOYSA-N
MW1901.93 g/mol
LogP33.81
Rot. Bonds15

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

4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 137392576) has the molecular formula C122H68F12N10 and a molecular weight of 1901.93 g/mol. Its IUPAC name is 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID137392576
Molecular FormulaC122H68F12N10
Molecular Weight1901.93 g/mol
Exact Mass1900.54
IUPAC Name4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C122H68F12N10/c123-119(124,125)81-52-56-94(120(126,127)128)89(66-81)91-67-110(143-104-44-16-13-32-82(104)85-53-48-77(62-112(85)143)102-43-23-40-99(139-102)73-28-9-3-10-29-73)79(69-135)64-114(91)144-105-45-17-14-33-83(105)86-54-49-78(63-113(86)144)118-88(55-57-103(140-118)74-30-11-4-12-31-74)87-35-19-47-109-116(87)92-61-76(101-42-22-39-98(138-101)72-26-7-2-8-27-72)51-59-108(92)142(109)111-68-93(117-95(121(129,130)131)36-20-37-96(117)122(132,133)134)115(65-80(111)70-136)141-106-46-18-15-34-84(106)90-60-75(50-58-107(90)141)100-41-21-38-97(137-100)71-24-5-1-6-25-71/h1-68H
InChIKeyTXQSCMBEZFKQGY-UHFFFAOYSA-N
XLogP33.81
TPSA118.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001901.93
LogP ≤ 533.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 137392576) is 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc(-c4nc(-c5ccccc5)ccc4-c4cccc5c4c4cc(-c6cccc(-c7ccccc7)n6)ccc4n5-c4cc(-c5c(C(F)(F)F)cccc5C(F)(F)F)c(-n5c6ccccc6c6cc(-c7cccc(-c8ccccc8)n7)ccc65)cc4C#N)cc32)c(-c2cc(C(F)(F)F)ccc2C(F)(F)F)cc1-n1c2ccccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.
What is the InChIKey of 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is TXQSCMBEZFKQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H68F12N10/c123-119(124,125)81-52-56-94(120(126,127)128)89(66-81)91-67-110(143-104-44-16-13-32-82(104)85-53-48-77(62-112(85)143)102-43-23-40-99(139-102)73-28-9-3-10-29-73)79(69-135)64-114(91)144-105-45-17-14-33-83(105)86-54-49-78(63-113(86)144)118-88(55-57-103(140-118)74-30-11-4-12-31-74)87-35-19-47-109-116(87)92-61-76(101-42-22-39-98(138-101)72-26-7-2-8-27-72)51-59-108(92)142(109)111-68-93(117-95(121(129,130)131)36-20-37-96(117)122(132,133)134)115(65-80(111)70-136)141-106-46-18-15-34-84(106)90-60-75(50-58-107(90)141)100-41-21-38-97(137-100)71-24-5-1-6-25-71/h1-68H.
What are the key properties of 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 1901.93 g/mol, XLogP of 33.81, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(trifluoromethyl)phenyl]-5-[2-[3-[9-[5-[2,6-bis(trifluoromethyl)phenyl]-2-cyano-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-6-(6-phenyl-2-pyridinyl)carbazol-4-yl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-2-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 137392576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).