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

C50H26N4O2 — CID 134223410

IUPAC4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C50H26N4O2/c51-27-29-9-15-33(16-10-29)53-43-19-13-31(21-37(43)39-23-41-35-5-1-3-7-47(35)55-49(41)25-45(39)53)32-14-20-44-38(22-32)40-24-42-36-6-2-4-8-48(36)56-50(42)26-46(40)54(44)34-17-11-30(28-52)12-18-34/h1-26H
InChIKeyDNWAXTMTRRFBSV-UHFFFAOYSA-N
MW714.78 g/mol
LogP13.09
Rot. Bonds3

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

4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile (PubChem CID 134223410) has the molecular formula C50H26N4O2 and a molecular weight of 714.78 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]benzonitrile.

Molecular Properties

Compound Name4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
PubChem CID134223410
Molecular FormulaC50H26N4O2
Molecular Weight714.78 g/mol
Exact Mass714.21
IUPAC Name4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C50H26N4O2/c51-27-29-9-15-33(16-10-29)53-43-19-13-31(21-37(43)39-23-41-35-5-1-3-7-47(35)55-49(41)25-45(39)53)32-14-20-44-38(22-32)40-24-42-36-6-2-4-8-48(36)56-50(42)26-46(40)54(44)34-17-11-30(28-52)12-18-34/h1-26H
InChIKeyDNWAXTMTRRFBSV-UHFFFAOYSA-N
XLogP13.09
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.78
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]benzene-1,3-dicarbonitrile
CID 134223661
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
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
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[3-([1]benzofuro[2,3-b]carbazol-7-yl)-5-carbazol-9-ylphenyl]benzonitrile
CID 139340044
2-methyl-7-phenyl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223454
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690

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]benzonitrile?
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]benzonitrile (CID 134223410) is 4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile.
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]benzonitrile?
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]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(C#N)cc4)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]benzonitrile?
The InChIKey is DNWAXTMTRRFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H26N4O2/c51-27-29-9-15-33(16-10-29)53-43-19-13-31(21-37(43)39-23-41-35-5-1-3-7-47(35)55-49(41)25-45(39)53)32-14-20-44-38(22-32)40-24-42-36-6-2-4-8-48(36)56-50(42)26-46(40)54(44)34-17-11-30(28-52)12-18-34/h1-26H.
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]benzonitrile?
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile has a molecular weight of 714.78 g/mol, XLogP of 13.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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]benzonitrile is sourced from PubChem (CID 134223410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).