6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile

C86H50N6O — CID 146562805

IUPAC6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c32)c1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C86H50N6O/c87-51-65-66(52-88)84(92-70-46-26-22-42-64(70)78-72(92)50-48-62-60-40-20-24-44-68(60)90(82(62)78)58-37-17-6-18-38-58)86-80(83(65)91-69-45-25-21-41-63(69)77-71(91)49-47-61-59-39-19-23-43-67(59)89(81(61)77)57-35-15-5-16-36-57)79-75(55-31-11-3-12-32-55)73(53-27-7-1-8-28-53)74(54-29-9-2-10-30-54)76(85(79)93-86)56-33-13-4-14-34-56/h1-50H
InChIKeyFZOBUEBCNPRPMR-UHFFFAOYSA-N
MW1183.39 g/mol
LogP22.39
Rot. Bonds8

About 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile

6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile (PubChem CID 146562805) has the molecular formula C86H50N6O and a molecular weight of 1183.39 g/mol. Its IUPAC name is 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile.

Molecular Properties

Compound Name6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile
PubChem CID146562805
Molecular FormulaC86H50N6O
Molecular Weight1183.39 g/mol
Exact Mass1182.40
IUPAC Name6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile
SMILESN#Cc1c(C#N)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c32)c1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C86H50N6O/c87-51-65-66(52-88)84(92-70-46-26-22-42-64(70)78-72(92)50-48-62-60-40-20-24-44-68(60)90(82(62)78)58-37-17-6-18-38-58)86-80(83(65)91-69-45-25-21-41-63(69)77-71(91)49-47-61-59-39-19-23-43-67(59)89(81(61)77)57-35-15-5-16-36-57)79-75(55-31-11-3-12-32-55)73(53-27-7-1-8-28-53)74(54-29-9-2-10-30-54)76(85(79)93-86)56-33-13-4-14-34-56/h1-50H
InChIKeyFZOBUEBCNPRPMR-UHFFFAOYSA-N
XLogP22.39
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001183.39
LogP ≤ 522.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-tri(carbazol-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166856107
2,6-diphenyl-3,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 137368903
2,4,5-tri(carbazol-9-yl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166855757
3-[2,3,5,6-tetra(carbazol-9-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 167107914
2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-9-yl)-6-(12-phenylindolo[3,2-c]carbazol-5-yl)-4-(3-phenylphenyl)benzonitrile
CID 170051066
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
5-(4-tert-butylphenyl)-4,6-di(carbazol-9-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 146562377
4-isocyano-3-phenyl-2,6-bis(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 170670751
4-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 118543647
2,6-di(carbazol-9-yl)-3,5-bis(4,26-dioxa-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-4-phenylbenzonitrile
CID 170001407
5-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339961

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile?
The IUPAC name of 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile (CID 146562805) is 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile.
What is the SMILES notation for 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile?
The canonical SMILES for 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile is N#Cc1c(C#N)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c2c(oc3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c32)c1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile?
The InChIKey is FZOBUEBCNPRPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50N6O/c87-51-65-66(52-88)84(92-70-46-26-22-42-64(70)78-72(92)50-48-62-60-40-20-24-44-68(60)90(82(62)78)58-37-17-6-18-38-58)86-80(83(65)91-69-45-25-21-41-63(69)77-71(91)49-47-61-59-39-19-23-43-67(59)89(81(61)77)57-35-15-5-16-36-57)79-75(55-31-11-3-12-32-55)73(53-27-7-1-8-28-53)74(54-29-9-2-10-30-54)76(85(79)93-86)56-33-13-4-14-34-56/h1-50H.
What are the key properties of 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile?
6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile has a molecular weight of 1183.39 g/mol, XLogP of 22.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetraphenyl-1,4-bis(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-2,3-dicarbonitrile is sourced from PubChem (CID 146562805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).