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

C142H84F6N12 — CID 137386818

IUPAC2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5C(F)(F)F)cc(-n5c6ccccc6c6cc(-c7cccnc7-c7ccccc7)ccc65)c4C#N)c(-c4ccccc4)n3)cc2C(F)(F)F)cc1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C142H84F6N12/c143-141(144,145)120-42-22-19-38-106(120)104-81-135(157-127-43-23-20-39-110(127)112-74-101(50-59-129(112)157)108-41-25-65-155-139(108)91-34-15-5-16-35-91)118(85-149)136(82-104)158-128-44-24-21-40-111(128)113-75-102(51-60-130(113)158)109-53-54-122(156-140(109)92-36-17-6-18-37-92)103-45-52-107(121(76-103)142(146,147)148)105-83-137(159-131-55-46-93(97-61-66-151-123(77-97)87-26-7-1-8-27-87)70-114(131)115-71-94(47-56-132(115)159)98-62-67-152-124(78-98)88-28-9-2-10-29-88)119(86-150)138(84-105)160-133-57-48-95(99-63-68-153-125(79-99)89-30-11-3-12-31-89)72-116(133)117-73-96(49-58-134(117)160)100-64-69-154-126(80-100)90-32-13-4-14-33-90/h1-84H
InChIKeyZFUNIFNERYGNEP-UHFFFAOYSA-N
MW2072.31 g/mol
LogP37.23
Rot. Bonds19

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

2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386818) has the molecular formula C142H84F6N12 and a molecular weight of 2072.31 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386818
Molecular FormulaC142H84F6N12
Molecular Weight2072.31 g/mol
Exact Mass2070.68
IUPAC Name2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5C(F)(F)F)cc(-n5c6ccccc6c6cc(-c7cccnc7-c7ccccc7)ccc65)c4C#N)c(-c4ccccc4)n3)cc2C(F)(F)F)cc1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21
InChIInChI=1S/C142H84F6N12/c143-141(144,145)120-42-22-19-38-106(120)104-81-135(157-127-43-23-20-39-110(127)112-74-101(50-59-129(112)157)108-41-25-65-155-139(108)91-34-15-5-16-35-91)118(85-149)136(82-104)158-128-44-24-21-40-111(128)113-75-102(51-60-130(113)158)109-53-54-122(156-140(109)92-36-17-6-18-37-92)103-45-52-107(121(76-103)142(146,147)148)105-83-137(159-131-55-46-93(97-61-66-151-123(77-97)87-26-7-1-8-27-87)70-114(131)115-71-94(47-56-132(115)159)98-62-67-152-124(78-98)88-28-9-2-10-29-88)119(86-150)138(84-105)160-133-57-48-95(99-63-68-153-125(79-99)89-30-11-3-12-31-89)72-116(133)117-73-96(49-58-134(117)160)100-64-69-154-126(80-100)90-32-13-4-14-33-90/h1-84H
InChIKeyZFUNIFNERYGNEP-UHFFFAOYSA-N
XLogP37.23
TPSA144.64 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002072.31
LogP ≤ 537.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile (CID 137386818) is 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4ccnc(-c5ccccc5)c4)cc3c3cc(-c4ccnc(-c5ccccc5)c4)ccc32)cc(-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5C(F)(F)F)cc(-n5c6ccccc6c6cc(-c7cccnc7-c7ccccc7)ccc65)c4C#N)c(-c4ccccc4)n3)cc2C(F)(F)F)cc1-n1c2ccc(-c3ccnc(-c4ccccc4)c3)cc2c2cc(-c3ccnc(-c4ccccc4)c3)ccc21.
What is the InChIKey of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is ZFUNIFNERYGNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84F6N12/c143-141(144,145)120-42-22-19-38-106(120)104-81-135(157-127-43-23-20-39-110(127)112-74-101(50-59-129(112)157)108-41-25-65-155-139(108)91-34-15-5-16-35-91)118(85-149)136(82-104)158-128-44-24-21-40-111(128)113-75-102(51-60-130(113)158)109-53-54-122(156-140(109)92-36-17-6-18-37-92)103-45-52-107(121(76-103)142(146,147)148)105-83-137(159-131-55-46-93(97-61-66-151-123(77-97)87-26-7-1-8-27-87)70-114(131)115-71-94(47-56-132(115)159)98-62-67-152-124(78-98)88-28-9-2-10-29-88)119(86-150)138(84-105)160-133-57-48-95(99-63-68-153-125(79-99)89-30-11-3-12-31-89)72-116(133)117-73-96(49-58-134(117)160)100-64-69-154-126(80-100)90-32-13-4-14-33-90/h1-84H.
What are the key properties of 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile?
2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2072.31 g/mol, XLogP of 37.23, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-[4-[5-[9-[2-cyano-3-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-6-phenyl-2-pyridinyl]-2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).