5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

C142H84N14O3 — CID 159499002

IUPAC5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1cc(C#N)c(C#N)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C50H27N5O.C50H29N5O.C42H28N4O/c51-28-30-25-32(27-47(40(30)29-52)55-43-18-8-3-13-35(43)36-14-4-9-19-44(36)55)54-45-23-21-31(53-41-16-6-1-11-33(41)34-12-2-7-17-42(34)53)26-39(45)49-46(54)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-36(29-47(42(32)31-52)55-43-20-10-7-17-37(43)38-18-8-11-21-44(38)55)54-45-25-23-35(53(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-41(45)49-46(54)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-42(2,3)26-16-18-36-32(21-26)40-37(19-17-31-30-12-6-9-15-39(30)47-41(31)40)45(36)27-20-25(23-43)33(24-44)38(22-27)46-34-13-7-4-10-28(34)29-11-5-8-14-35(29)46/h1-27H;1-29H;4-22H,1-3H3
InChIKeyLZDMHAIHHHQRAL-UHFFFAOYSA-N
MW2034.33 g/mol
LogP36.44
Rot. Bonds10

About 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (PubChem CID 159499002) has the molecular formula C142H84N14O3 and a molecular weight of 2034.33 g/mol. Its IUPAC name is 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
PubChem CID159499002
Molecular FormulaC142H84N14O3
Molecular Weight2034.33 g/mol
Exact Mass2032.69
IUPAC Name5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
SMILESCC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1cc(C#N)c(C#N)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C50H27N5O.C50H29N5O.C42H28N4O/c51-28-30-25-32(27-47(40(30)29-52)55-43-18-8-3-13-35(43)36-14-4-9-19-44(36)55)54-45-23-21-31(53-41-16-6-1-11-33(41)34-12-2-7-17-42(34)53)26-39(45)49-46(54)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-36(29-47(42(32)31-52)55-43-20-10-7-17-37(43)38-18-8-11-21-44(38)55)54-45-25-23-35(53(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-41(45)49-46(54)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-42(2,3)26-16-18-36-32(21-26)40-37(19-17-31-30-12-6-9-15-39(30)47-41(31)40)45(36)27-20-25(23-43)33(24-44)38(22-27)46-34-13-7-4-10-28(34)29-11-5-8-14-35(29)46/h1-27H;1-29H;4-22H,1-3H3
InChIKeyLZDMHAIHHHQRAL-UHFFFAOYSA-N
XLogP36.44
TPSA219.91 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.33
LogP ≤ 536.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

2-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-(3,6-ditert-butylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 121328915
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
2-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329266
3,5-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2,4-bis(2-dibenzofuran-3-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3,5-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3,6-bis(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 161007750
2,3-bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;2,3-bis(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;2,3-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanobenzonitrile;3-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile;5-isocyano-2,3-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 159173295
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 162051452
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329198
2,5-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;4-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 158176115
5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(3,6-ditert-butylcarbazol-9-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-6-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-isocyanobenzonitrile;4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile;2-carbazol-9-yl-3-isocyano-5-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;4-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
CID 161256880
4-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121329171
5-isocyano-2-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 153462261
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328699

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (CID 159499002) is 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is CC(C)(C)c1ccc2c(c1)c1c3oc4ccccc4c3ccc1n2-c1cc(C#N)c(C#N)c(-n2c3ccccc3c3ccccc32)c1.N#Cc1cc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N.N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5ccccc5c4ccc32)cc(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
The InChIKey is LZDMHAIHHHQRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H27N5O.C50H29N5O.C42H28N4O/c51-28-30-25-32(27-47(40(30)29-52)55-43-18-8-3-13-35(43)36-14-4-9-19-44(36)55)54-45-23-21-31(53-41-16-6-1-11-33(41)34-12-2-7-17-42(34)53)26-39(45)49-46(54)24-22-38-37-15-5-10-20-48(37)56-50(38)49;51-30-32-27-36(29-47(42(32)31-52)55-43-20-10-7-17-37(43)38-18-8-11-21-44(38)55)54-45-25-23-35(53(33-13-3-1-4-14-33)34-15-5-2-6-16-34)28-41(45)49-46(54)26-24-40-39-19-9-12-22-48(39)56-50(40)49;1-42(2,3)26-16-18-36-32(21-26)40-37(19-17-31-30-12-6-9-15-39(30)47-41(31)40)45(36)27-20-25(23-43)33(24-44)38(22-27)46-34-13-7-4-10-28(34)29-11-5-8-14-35(29)46/h1-27H;1-29H;4-22H,1-3H3.
What are the key properties of 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?
5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile has a molecular weight of 2034.33 g/mol, XLogP of 36.44, 10 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-[1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-ylbenzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 159499002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).