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

C126H68N14 — CID 155216621

IUPAC3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4cccc(C#N)c4-c4ccc5c6ccc(-c7ccccc7C#N)cc6n(-c6cc(C#N)cc(-n7c8cc(-c9ccccc9C#N)ccc8c8ccc(-c9ccccc9C#N)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1
InChIInChI=1S/C126H68N14/c127-69-77-58-120(137-112-43-18-17-37-100(112)105-62-81(48-55-113(105)137)94-32-12-7-26-88(94)71-129)125(110-41-20-39-108(135-110)79-22-3-1-4-23-79)121(59-77)138-114-56-49-82(95-33-13-8-27-89(95)72-130)63-106(114)107-64-83(50-57-115(107)138)99-38-19-31-93(76-134)124(99)87-47-54-104-103-53-46-86(98-36-16-11-30-92(98)75-133)67-118(103)140(119(104)68-87)123-61-78(70-128)60-122(126(123)111-42-21-40-109(136-111)80-24-5-2-6-25-80)139-116-65-84(96-34-14-9-28-90(96)73-131)44-51-101(116)102-52-45-85(66-117(102)139)97-35-15-10-29-91(97)74-132/h1-68H
InChIKeyQEHKOGDKSKNDRI-UHFFFAOYSA-N
MW1778.03 g/mol
LogP30.18
Rot. Bonds15

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

3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216621) has the molecular formula C126H68N14 and a molecular weight of 1778.03 g/mol. Its IUPAC name is 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216621
Molecular FormulaC126H68N14
Molecular Weight1778.03 g/mol
Exact Mass1776.58
IUPAC Name3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4cccc(C#N)c4-c4ccc5c6ccc(-c7ccccc7C#N)cc6n(-c6cc(C#N)cc(-n7c8cc(-c9ccccc9C#N)ccc8c8ccc(-c9ccccc9C#N)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1
InChIInChI=1S/C126H68N14/c127-69-77-58-120(137-112-43-18-17-37-100(112)105-62-81(48-55-113(105)137)94-32-12-7-26-88(94)71-129)125(110-41-20-39-108(135-110)79-22-3-1-4-23-79)121(59-77)138-114-56-49-82(95-33-13-8-27-89(95)72-130)63-106(114)107-64-83(50-57-115(107)138)99-38-19-31-93(76-134)124(99)87-47-54-104-103-53-46-86(98-36-16-11-30-92(98)75-133)67-118(103)140(119(104)68-87)123-61-78(70-128)60-122(126(123)111-42-21-40-109(136-111)80-24-5-2-6-25-80)139-116-65-84(96-34-14-9-28-90(96)73-131)44-51-101(116)102-52-45-85(66-117(102)139)97-35-15-10-29-91(97)74-132/h1-68H
InChIKeyQEHKOGDKSKNDRI-UHFFFAOYSA-N
XLogP30.18
TPSA235.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.03
LogP ≤ 530.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

4-(3-cyanophenyl)-3,5-bis[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 146237957
3-carbazol-9-yl-4-(3-cyanophenyl)-5-[2-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 142466016
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
5-[2,6-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-cyanophenyl]benzene-1,3-dicarbonitrile
CID 139538817
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 142508821
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216668
2-[9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155463317
3,5-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile;3,5-bis[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile;4-(2,6-dimethyl-4-pyridinyl)-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 161450960
3,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134302096

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216621) is 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cccc(-c3ccccc3)n2)c(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4cccc(C#N)c4-c4ccc5c6ccc(-c7ccccc7C#N)cc6n(-c6cc(C#N)cc(-n7c8cc(-c9ccccc9C#N)ccc8c8ccc(-c9ccccc9C#N)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1.
What is the InChIKey of 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is QEHKOGDKSKNDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H68N14/c127-69-77-58-120(137-112-43-18-17-37-100(112)105-62-81(48-55-113(105)137)94-32-12-7-26-88(94)71-129)125(110-41-20-39-108(135-110)79-22-3-1-4-23-79)121(59-77)138-114-56-49-82(95-33-13-8-27-89(95)72-130)63-106(114)107-64-83(50-57-115(107)138)99-38-19-31-93(76-134)124(99)87-47-54-104-103-53-46-86(98-36-16-11-30-92(98)75-133)67-118(103)140(119(104)68-87)123-61-78(70-128)60-122(126(123)111-42-21-40-109(136-111)80-24-5-2-6-25-80)139-116-65-84(96-34-14-9-28-90(96)73-131)44-51-101(116)102-52-45-85(66-117(102)139)97-35-15-10-29-91(97)74-132/h1-68H.
What are the key properties of 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 1778.03 g/mol, XLogP of 30.18, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-[9-[3-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-cyano-2-(6-phenyl-2-pyridinyl)phenyl]-7-(2-cyanophenyl)carbazol-2-yl]-3-cyanophenyl]-6-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).