4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile

C70H46N6O — CID 139368554

IUPAC4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
SMILESCc1cccc2c3ccccc3n(-c3c(C#N)c(-n4c5ccccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccc(C)c54)c(-c4cccc5c4oc4ncccc45)c3-n3c4ccccc4c4cccc(C)c43)c12
InChIInChI=1S/C70H46N6O/c1-40-19-13-27-48-44-23-5-9-34-56(44)73(61(40)48)65-55(39-71)66(74-57-35-10-6-24-45(57)49-28-14-20-41(2)62(49)74)68(76-59-37-12-8-26-47(59)51-30-16-22-43(4)64(51)76)60(54-32-17-31-52-53-33-18-38-72-70(53)77-69(52)54)67(65)75-58-36-11-7-25-46(58)50-29-15-21-42(3)63(50)75/h5-38H,1-4H3
InChIKeyKAJPDJTUIRQTFW-UHFFFAOYSA-N
MW987.18 g/mol
LogP18.14
Rot. Bonds5

About 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile

4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile (PubChem CID 139368554) has the molecular formula C70H46N6O and a molecular weight of 987.18 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
PubChem CID139368554
Molecular FormulaC70H46N6O
Molecular Weight987.18 g/mol
Exact Mass986.37
IUPAC Name4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
SMILESCc1cccc2c3ccccc3n(-c3c(C#N)c(-n4c5ccccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccc(C)c54)c(-c4cccc5c4oc4ncccc45)c3-n3c4ccccc4c4cccc(C)c43)c12
InChIInChI=1S/C70H46N6O/c1-40-19-13-27-48-44-23-5-9-34-56(44)73(61(40)48)65-55(39-71)66(74-57-35-10-6-24-45(57)49-28-14-20-41(2)62(49)74)68(76-59-37-12-8-26-47(59)51-30-16-22-43(4)64(51)76)60(54-32-17-31-52-53-33-18-38-72-70(53)77-69(52)54)67(65)75-58-36-11-7-25-46(58)50-29-15-21-42(3)63(50)75/h5-38H,1-4H3
InChIKeyKAJPDJTUIRQTFW-UHFFFAOYSA-N
XLogP18.14
TPSA69.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.18
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-([1]benzofuro[3,2-b]pyridin-6-yl)-2,3,5,6-tetrakis(4-methylcarbazol-9-yl)benzonitrile
CID 139368531
2,3,5,6-tetrakis(1-tert-butylcarbazol-9-yl)-4-dibenzofuran-4-ylbenzonitrile
CID 139368622
2,6-bis(1,8-dimethylcarbazol-9-yl)-3,5-bis(pyrido[2,3-b]indol-9-yl)-4-[2,4,5-tris(2-methylpropyl)phenyl]benzonitrile
CID 146631255
2,4,5,6-tetrakis(1,8-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 122552306
4-([1]benzofuro[3,2-b]pyridin-9-yl)-2,3,5,6-tetrakis(2-methylcarbazol-9-yl)benzonitrile
CID 139368533
4-([1]benzothiolo[2,3-c]pyridin-7-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile
CID 139368589
4-([1]benzofuro[2,3-b]pyridin-7-yl)-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139368536
2-methyl-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146531108
4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-3,6-di(dibenzofuran-4-yl)benzene-1,2-dicarbonitrile
CID 167209249
8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 156669778
2,3,5-tri(carbazol-9-yl)-6-(2-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166567049
2,6-di(carbazol-9-yl)-4-(2,6-dimethylphenyl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 146631082

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile?
The IUPAC name of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile (CID 139368554) is 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile is Cc1cccc2c3ccccc3n(-c3c(C#N)c(-n4c5ccccc5c5cccc(C)c54)c(-n4c5ccccc5c5cccc(C)c54)c(-c4cccc5c4oc4ncccc45)c3-n3c4ccccc4c4cccc(C)c43)c12.
What is the InChIKey of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile?
The InChIKey is KAJPDJTUIRQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N6O/c1-40-19-13-27-48-44-23-5-9-34-56(44)73(61(40)48)65-55(39-71)66(74-57-35-10-6-24-45(57)49-28-14-20-41(2)62(49)74)68(76-59-37-12-8-26-47(59)51-30-16-22-43(4)64(51)76)60(54-32-17-31-52-53-33-18-38-72-70(53)77-69(52)54)67(65)75-58-36-11-7-25-46(58)50-29-15-21-42(3)63(50)75/h5-38H,1-4H3.
What are the key properties of 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile?
4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile has a molecular weight of 987.18 g/mol, XLogP of 18.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]pyridin-8-yl)-2,3,5,6-tetrakis(1-methylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 139368554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).