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

C142H84F6N12 — CID 137386386

IUPAC5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4ccc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9ccccc9c9ccc(-c%10ccc(-c%11ccccc%11)nc%10)cc98)c7c6)cnc5-c5ccccc5)c(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C142H84F6N12/c143-141(144,145)117-46-23-19-42-103(117)110-81-137(135(79-100(110)83-149)157-129-68-59-95(123-51-27-48-120(153-123)88-32-9-2-10-33-88)72-112(129)113-73-96(60-69-130(113)157)124-52-28-49-121(154-124)89-34-11-3-12-35-89)158-131-70-61-97(125-53-29-50-122(155-125)90-36-13-4-14-37-90)74-114(131)115-75-98(62-71-132(115)158)126-67-65-109(140(156-126)92-40-17-6-18-41-92)116-76-102(86-152-139(116)91-38-15-5-16-39-91)94-57-64-108-106-45-22-26-55-128(106)160(134(108)78-94)138-82-111(104-43-20-24-47-118(104)142(146,147)148)101(84-150)80-136(138)159-127-54-25-21-44-105(127)107-63-56-93(77-133(107)159)99-58-66-119(151-85-99)87-30-7-1-8-31-87/h1-82,85-86H
InChIKeyBVEQUCFHRVWLOB-UHFFFAOYSA-N
MW2072.31 g/mol
LogP37.23
Rot. Bonds19

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

5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386386) has the molecular formula C142H84F6N12 and a molecular weight of 2072.31 g/mol. Its IUPAC name is 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386386
Molecular FormulaC142H84F6N12
Molecular Weight2072.31 g/mol
Exact Mass2070.68
IUPAC Name5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4ccc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9ccccc9c9ccc(-c%10ccc(-c%11ccccc%11)nc%10)cc98)c7c6)cnc5-c5ccccc5)c(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C142H84F6N12/c143-141(144,145)117-46-23-19-42-103(117)110-81-137(135(79-100(110)83-149)157-129-68-59-95(123-51-27-48-120(153-123)88-32-9-2-10-33-88)72-112(129)113-73-96(60-69-130(113)157)124-52-28-49-121(154-124)89-34-11-3-12-35-89)158-131-70-61-97(125-53-29-50-122(155-125)90-36-13-4-14-37-90)74-114(131)115-75-98(62-71-132(115)158)126-67-65-109(140(156-126)92-40-17-6-18-41-92)116-76-102(86-152-139(116)91-38-15-5-16-39-91)94-57-64-108-106-45-22-26-55-128(106)160(134(108)78-94)138-82-111(104-43-20-24-47-118(104)142(146,147)148)101(84-150)80-136(138)159-127-54-25-21-44-105(127)107-63-56-93(77-133(107)159)99-58-66-119(151-85-99)87-30-7-1-8-31-87/h1-82,85-86H
InChIKeyBVEQUCFHRVWLOB-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 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386386) is 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4ccc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9ccccc9c9ccc(-c%10ccc(-c%11ccccc%11)nc%10)cc98)c7c6)cnc5-c5ccccc5)c(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BVEQUCFHRVWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84F6N12/c143-141(144,145)117-46-23-19-42-103(117)110-81-137(135(79-100(110)83-149)157-129-68-59-95(123-51-27-48-120(153-123)88-32-9-2-10-33-88)72-112(129)113-73-96(60-69-130(113)157)124-52-28-49-121(154-124)89-34-11-3-12-35-89)158-131-70-61-97(125-53-29-50-122(155-125)90-36-13-4-14-37-90)74-114(131)115-75-98(62-71-132(115)158)126-67-65-109(140(156-126)92-40-17-6-18-41-92)116-76-102(86-152-139(116)91-38-15-5-16-39-91)94-57-64-108-106-45-22-26-55-128(106)160(134(108)78-94)138-82-111(104-43-20-24-47-118(104)142(146,147)148)101(84-150)80-136(138)159-127-54-25-21-44-105(127)107-63-56-93(77-133(107)159)99-58-66-119(151-85-99)87-30-7-1-8-31-87/h1-82,85-86H.
What are the key properties of 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[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 5-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-[5-[5-[9-[4-cyano-2-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).