4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile

C51H25N5O2 — CID 134223661

IUPAC4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4C#N)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C51H25N5O2/c52-26-29-9-14-34(15-10-29)55-44-17-12-31(20-37(44)39-22-41-35-5-1-3-7-48(35)57-50(41)24-46(39)55)32-13-18-45-38(21-32)40-23-42-36-6-2-4-8-49(36)58-51(42)25-47(40)56(45)43-16-11-30(27-53)19-33(43)28-54/h1-25H
InChIKeyWNKDQRCBNPYFJX-UHFFFAOYSA-N
MW739.79 g/mol
LogP12.96
Rot. Bonds3

About 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile

4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile (PubChem CID 134223661) has the molecular formula C51H25N5O2 and a molecular weight of 739.79 g/mol. Its IUPAC name is 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile
PubChem CID134223661
Molecular FormulaC51H25N5O2
Molecular Weight739.79 g/mol
Exact Mass739.20
IUPAC Name4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4C#N)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C51H25N5O2/c52-26-29-9-14-34(15-10-29)55-44-17-12-31(20-37(44)39-22-41-35-5-1-3-7-48(35)57-50(41)24-46(39)55)32-13-18-45-38(21-32)40-23-42-36-6-2-4-8-49(36)58-51(42)25-47(40)56(45)43-16-11-30(27-53)19-33(43)28-54/h1-25H
InChIKeyWNKDQRCBNPYFJX-UHFFFAOYSA-N
XLogP12.96
TPSA107.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.79
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
2-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;3-[10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile;7-phenyl-10-[8-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole;7-phenyl-10-[9-phenyl-6-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
CID 159062536
5-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)benzonitrile
CID 129291132
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010

Frequently Asked Questions

What is the IUPAC name of 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile (CID 134223661) is 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4C#N)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The InChIKey is WNKDQRCBNPYFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H25N5O2/c52-26-29-9-14-34(15-10-29)55-44-17-12-31(20-37(44)39-22-41-35-5-1-3-7-48(35)57-50(41)24-46(39)55)32-13-18-45-38(21-32)40-23-42-36-6-2-4-8-49(36)58-51(42)25-47(40)56(45)43-16-11-30(27-53)19-33(43)28-54/h1-25H.
What are the key properties of 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile?
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile has a molecular weight of 739.79 g/mol, XLogP of 12.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 134223661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).