2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile

C43H25N3O — CID 129290851

IUPAC2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C43H25N3O/c44-26-28-25-30(45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45)21-22-31(28)27-17-19-29(20-18-27)46-39-15-7-3-11-34(39)35-23-24-41-42(43(35)46)36-12-4-8-16-40(36)47-41/h1-25H
InChIKeyCFZLOGDGMPGUPT-UHFFFAOYSA-N
MW599.69 g/mol
LogP11.32
Rot. Bonds3

About 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile

2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile (PubChem CID 129290851) has the molecular formula C43H25N3O and a molecular weight of 599.69 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile.

Molecular Properties

Compound Name2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
PubChem CID129290851
Molecular FormulaC43H25N3O
Molecular Weight599.69 g/mol
Exact Mass599.20
IUPAC Name2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1
InChIInChI=1S/C43H25N3O/c44-26-28-25-30(45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45)21-22-31(28)27-17-19-29(20-18-27)46-39-15-7-3-11-34(39)35-23-24-41-42(43(35)46)36-12-4-8-16-40(36)47-41/h1-25H
InChIKeyCFZLOGDGMPGUPT-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.69
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-([1]benzofuro[2,3-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[2,3-b]carbazol-7-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-(4-carbazol-9-ylphenyl)benzonitrile;2-(4-carbazol-9-ylphenyl)-5-(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 165038768
2-([1]benzofuro[3,2-a]carbazol-12-yl)-3-[4-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 140793986
4-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[5-([1]benzofuro[3,2-a]carbazol-12-yl)-2-isocyanophenyl]benzonitrile
CID 140794065
3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-[4-(2-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 129300022
2-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291167
9-[4-[4-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958815
5-[4-([1]benzofuro[3,2-a]carbazol-12-ylmethyl)-2-carbazol-9-ylphenyl]-2-phenylbenzonitrile
CID 153411281
2-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 164730398
2-[4-[12-[4-(2-cyanophenyl)phenyl]indolo[3,2-c]carbazol-5-yl]phenyl]benzonitrile
CID 135252875
12-[9-[4-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 167259628
2-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 129225725
5-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-2-(3-isocyanocarbazol-9-yl)benzonitrile
CID 140794217

Frequently Asked Questions

What is the IUPAC name of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile?
The IUPAC name of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile (CID 129290851) is 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile.
What is the SMILES notation for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile?
The canonical SMILES for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile is N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1.
What is the InChIKey of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile?
The InChIKey is CFZLOGDGMPGUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O/c44-26-28-25-30(45-37-13-5-1-9-32(37)33-10-2-6-14-38(33)45)21-22-31(28)27-17-19-29(20-18-27)46-39-15-7-3-11-34(39)35-23-24-41-42(43(35)46)36-12-4-8-16-40(36)47-41/h1-25H.
What are the key properties of 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile?
2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile has a molecular weight of 599.69 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile is sourced from PubChem (CID 129290851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).