5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile

C142H84F6N12 — CID 137386388

IUPAC5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9cc(-c%10cccc(-c%11ccccc%11)n%10)ccc9c9ccc(-c%10cccc(-c%11ccccc%11)n%10)cc98)c7c6)nc5-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C142H84F6N12/c143-141(144,145)115-47-23-19-43-103(115)111-83-138(158-129-58-26-22-45-105(129)113-73-93(63-71-131(113)158)121-53-27-49-117(151-121)87-31-7-1-8-32-87)136(81-100(111)85-149)157-128-57-25-21-46-106(128)114-74-94(64-72-130(114)157)127-76-99(75-126(155-127)91-39-15-5-16-40-91)102-69-70-125(156-140(102)92-41-17-6-18-42-92)98-62-68-110-109-67-61-97(124-56-30-52-120(154-124)90-37-13-4-14-38-90)79-134(109)160(135(110)80-98)139-84-112(104-44-20-24-48-116(104)142(146,147)148)101(86-150)82-137(139)159-132-77-95(122-54-28-50-118(152-122)88-33-9-2-10-34-88)59-65-107(132)108-66-60-96(78-133(108)159)123-55-29-51-119(153-123)89-35-11-3-12-36-89/h1-84H
InChIKeyGXOFJMINAWAEMZ-UHFFFAOYSA-N
MW2072.31 g/mol
LogP37.23
Rot. Bonds19

About 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile

5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386388) has the molecular formula C142H84F6N12 and a molecular weight of 2072.31 g/mol. Its IUPAC name is 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386388
Molecular FormulaC142H84F6N12
Molecular Weight2072.31 g/mol
Exact Mass2070.68
IUPAC Name5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9cc(-c%10cccc(-c%11ccccc%11)n%10)ccc9c9ccc(-c%10cccc(-c%11ccccc%11)n%10)cc98)c7c6)nc5-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C142H84F6N12/c143-141(144,145)115-47-23-19-43-103(115)111-83-138(158-129-58-26-22-45-105(129)113-73-93(63-71-131(113)158)121-53-27-49-117(151-121)87-31-7-1-8-32-87)136(81-100(111)85-149)157-128-57-25-21-46-106(128)114-74-94(64-72-130(114)157)127-76-99(75-126(155-127)91-39-15-5-16-40-91)102-69-70-125(156-140(102)92-41-17-6-18-42-92)98-62-68-110-109-67-61-97(124-56-30-52-120(154-124)90-37-13-4-14-38-90)79-134(109)160(135(110)80-98)139-84-112(104-44-20-24-48-116(104)142(146,147)148)101(86-150)82-137(139)159-132-77-95(122-54-28-50-118(152-122)88-33-9-2-10-34-88)59-65-107(132)108-66-60-96(78-133(108)159)123-55-29-51-119(153-123)89-35-11-3-12-36-89/h1-84H
InChIKeyGXOFJMINAWAEMZ-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-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(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-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386388) is 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4cc(-c5ccc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(-c9ccccc9C(F)(F)F)c(C#N)cc8-n8c9cc(-c%10cccc(-c%11ccccc%11)n%10)ccc9c9ccc(-c%10cccc(-c%11ccccc%11)n%10)cc98)c7c6)nc5-c5ccccc5)cc(-c5ccccc5)n4)ccc32)c(-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is GXOFJMINAWAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H84F6N12/c143-141(144,145)115-47-23-19-43-103(115)111-83-138(158-129-58-26-22-45-105(129)113-73-93(63-71-131(113)158)121-53-27-49-117(151-121)87-31-7-1-8-32-87)136(81-100(111)85-149)157-128-57-25-21-46-106(128)114-74-94(64-72-130(114)157)127-76-99(75-126(155-127)91-39-15-5-16-40-91)102-69-70-125(156-140(102)92-41-17-6-18-42-92)98-62-68-110-109-67-61-97(124-56-30-52-120(154-124)90-37-13-4-14-38-90)79-134(109)160(135(110)80-98)139-84-112(104-44-20-24-48-116(104)142(146,147)148)101(86-150)82-137(139)159-132-77-95(122-54-28-50-118(152-122)88-33-9-2-10-34-88)59-65-107(132)108-66-60-96(78-133(108)159)123-55-29-51-119(153-123)89-35-11-3-12-36-89/h1-84H.
What are the key properties of 5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile?
5-[3-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(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-[4-[6-[9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-cyano-5-[2-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-2-pyridinyl]carbazol-9-yl]-4-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).