4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile

C142H82F4N12 — CID 154959863

IUPAC4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)cc(-c2ccc3c(c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2n3-c2cc(C#N)c(-c3c(F)cccc3F)cc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1F
InChIInChI=1S/C142H82F4N12/c143-117-49-25-50-118(144)133(117)110-82-132(157-123-53-24-21-44-105(123)108-60-59-106-103-42-19-22-51-121(103)153(139(106)141(108)157)97-38-15-5-16-39-97)130(80-96(110)84-148)158-128-63-54-89(72-112(128)109-62-61-107-104-43-20-23-52-122(104)154(140(107)142(109)158)98-40-17-6-18-41-98)94-77-119(145)134(120(146)78-94)111-81-131(156-126-66-57-92(101-47-28-70-151-137(101)87-34-11-3-12-35-87)75-115(126)116-76-93(58-67-127(116)156)102-48-29-71-152-138(102)88-36-13-4-14-37-88)129(79-95(111)83-147)155-124-64-55-90(99-45-26-68-149-135(99)85-30-7-1-8-31-85)73-113(124)114-74-91(56-65-125(114)155)100-46-27-69-150-136(100)86-32-9-2-10-33-86/h1-82H
InChIKeyKPDFPFQIEYTCRF-UHFFFAOYSA-N
MW2032.29 g/mol
LogP36.49
Rot. Bonds17

About 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile

4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile (PubChem CID 154959863) has the molecular formula C142H82F4N12 and a molecular weight of 2032.29 g/mol. Its IUPAC name is 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile.

Molecular Properties

Compound Name4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile
PubChem CID154959863
Molecular FormulaC142H82F4N12
Molecular Weight2032.29 g/mol
Exact Mass2030.67
IUPAC Name4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)cc(-c2ccc3c(c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2n3-c2cc(C#N)c(-c3c(F)cccc3F)cc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1F
InChIInChI=1S/C142H82F4N12/c143-117-49-25-50-118(144)133(117)110-82-132(157-123-53-24-21-44-105(123)108-60-59-106-103-42-19-22-51-121(103)153(139(106)141(108)157)97-38-15-5-16-39-97)130(80-96(110)84-148)158-128-63-54-89(72-112(128)109-62-61-107-104-43-20-23-52-122(104)154(140(107)142(109)158)98-40-17-6-18-41-98)94-77-119(145)134(120(146)78-94)111-81-131(156-126-66-57-92(101-47-28-70-151-137(101)87-34-11-3-12-35-87)75-115(126)116-76-93(58-67-127(116)156)102-48-29-71-152-138(102)88-36-13-4-14-37-88)129(79-95(111)83-147)155-124-64-55-90(99-45-26-68-149-135(99)85-30-7-1-8-31-85)73-113(124)114-74-91(56-65-125(114)155)100-46-27-69-150-136(100)86-32-9-2-10-33-86/h1-82H
InChIKeyKPDFPFQIEYTCRF-UHFFFAOYSA-N
XLogP36.49
TPSA128.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.29
LogP ≤ 536.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile?
The IUPAC name of 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile (CID 154959863) is 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile.
What is the SMILES notation for 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile?
The canonical SMILES for 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile is N#Cc1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)cc1-c1c(F)cc(-c2ccc3c(c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2n3-c2cc(C#N)c(-c3c(F)cccc3F)cc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1F.
What is the InChIKey of 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile?
The InChIKey is KPDFPFQIEYTCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H82F4N12/c143-117-49-25-50-118(144)133(117)110-82-132(157-123-53-24-21-44-105(123)108-60-59-106-103-42-19-22-51-121(103)153(139(106)141(108)157)97-38-15-5-16-39-97)130(80-96(110)84-148)158-128-63-54-89(72-112(128)109-62-61-107-104-43-20-23-52-122(104)154(140(107)142(109)158)98-40-17-6-18-41-98)94-77-119(145)134(120(146)78-94)111-81-131(156-126-66-57-92(101-47-28-70-151-137(101)87-34-11-3-12-35-87)75-115(126)116-76-93(58-67-127(116)156)102-48-29-71-152-138(102)88-36-13-4-14-37-88)129(79-95(111)83-147)155-124-64-55-90(99-45-26-68-149-135(99)85-30-7-1-8-31-85)73-113(124)114-74-91(56-65-125(114)155)100-46-27-69-150-136(100)86-32-9-2-10-33-86/h1-82H.
What are the key properties of 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile?
4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile has a molecular weight of 2032.29 g/mol, XLogP of 36.49, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[4-[12-[5-cyano-4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazol-3-yl]-2,6-difluorophenyl]benzonitrile is sourced from PubChem (CID 154959863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).