6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

C142H84F6N12 — CID 137386666

IUPAC6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3ccc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7c(-c8ccccc8C(F)(F)F)ccc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C142H84F6N12/c143-141(144,145)121-50-22-19-42-106(121)114-65-69-126(119(84-149)139(114)159-123-52-24-21-44-108(123)117-76-95(59-68-125(117)159)102-46-26-72-152-134(102)88-32-9-2-10-33-88)157-124-67-58-94(101-45-25-71-151-133(101)87-30-7-1-8-31-87)77-118(124)113-60-53-93(79-128(113)157)100-78-116(138(156-86-100)92-40-17-6-18-41-92)99-57-64-112-111-63-56-98(105-49-29-75-155-137(105)91-38-15-5-16-39-91)82-131(111)160(132(112)83-99)140-115(107-43-20-23-51-122(107)142(146,147)148)66-70-127(120(140)85-150)158-129-80-96(103-47-27-73-153-135(103)89-34-11-3-12-35-89)54-61-109(129)110-62-55-97(81-130(110)158)104-48-28-74-154-136(104)90-36-13-4-14-37-90/h1-83,86H
InChIKeyYTKYFEHALJQACM-UHFFFAOYSA-N
MW2072.31 g/mol
LogP37.23
Rot. Bonds19

About 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile

6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386666) has the molecular formula C142H84F6N12 and a molecular weight of 2072.31 g/mol. Its IUPAC name is 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386666
Molecular FormulaC142H84F6N12
Molecular Weight2072.31 g/mol
Exact Mass2070.68
IUPAC Name6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3ccc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7c(-c8ccccc8C(F)(F)F)ccc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C142H84F6N12/c143-141(144,145)121-50-22-19-42-106(121)114-65-69-126(119(84-149)139(114)159-123-52-24-21-44-108(123)117-76-95(59-68-125(117)159)102-46-26-72-152-134(102)88-32-9-2-10-33-88)157-124-67-58-94(101-45-25-71-151-133(101)87-30-7-1-8-31-87)77-118(124)113-60-53-93(79-128(113)157)100-78-116(138(156-86-100)92-40-17-6-18-41-92)99-57-64-112-111-63-56-98(105-49-29-75-155-137(105)91-38-15-5-16-39-91)82-131(111)160(132(112)83-99)140-115(107-43-20-23-51-122(107)142(146,147)148)66-70-127(120(140)85-150)158-129-80-96(103-47-27-73-153-135(103)89-34-11-3-12-35-89)54-61-109(129)110-62-55-97(81-130(110)158)104-48-28-74-154-136(104)90-36-13-4-14-37-90/h1-83,86H
InChIKeyYTKYFEHALJQACM-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 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386666) is 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3ccc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7c(-c8ccccc8C(F)(F)F)ccc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cc32)ccc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21.
What is the InChIKey of 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is YTKYFEHALJQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84F6N12/c143-141(144,145)121-50-22-19-42-106(121)114-65-69-126(119(84-149)139(114)159-123-52-24-21-44-108(123)117-76-95(59-68-125(117)159)102-46-26-72-152-134(102)88-32-9-2-10-33-88)157-124-67-58-94(101-45-25-71-151-133(101)87-30-7-1-8-31-87)77-118(124)113-60-53-93(79-128(113)157)100-78-116(138(156-86-100)92-40-17-6-18-41-92)99-57-64-112-111-63-56-98(105-49-29-75-155-137(105)91-38-15-5-16-39-91)82-131(111)160(132(112)83-99)140-115(107-43-20-23-51-122(107)142(146,147)148)66-70-127(120(140)85-150)158-129-80-96(103-47-27-73-153-135(103)89-34-11-3-12-35-89)54-61-109(129)110-62-55-97(81-130(110)158)104-48-28-74-154-136(104)90-36-13-4-14-37-90/h1-83,86H.
What are the key properties of 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile?
6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[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 6-[2-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-cyano-6-[2-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).