2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile

C49H29N3O — CID 139340001

IUPAC2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C49H29N3O/c50-30-33-28-32(31-12-2-1-3-13-31)22-24-35(33)38-25-23-34(29-46(38)52-42-18-8-4-14-36(42)37-15-5-9-19-43(37)52)51-44-20-10-6-17-41(44)48-45(51)27-26-40-39-16-7-11-21-47(39)53-49(40)48/h1-29H
InChIKeyZVXVAFZXVCNJBT-UHFFFAOYSA-N
MW675.79 g/mol
LogP12.99
Rot. Bonds4

About 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile

2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile (PubChem CID 139340001) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile.

Molecular Properties

Compound Name2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
PubChem CID139340001
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile
SMILESN#Cc1cc(-c2ccccc2)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C49H29N3O/c50-30-33-28-32(31-12-2-1-3-13-31)22-24-35(33)38-25-23-34(29-46(38)52-42-18-8-4-14-36(42)37-15-5-9-19-43(37)52)51-44-20-10-6-17-41(44)48-45(51)27-26-40-39-16-7-11-21-47(39)53-49(40)48/h1-29H
InChIKeyZVXVAFZXVCNJBT-UHFFFAOYSA-N
XLogP12.99
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile 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

4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]-2-phenylbenzene-1,3-dicarbonitrile
CID 139339834
2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339954
4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(4-cyanophenyl)benzonitrile
CID 139339613
3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-(3-cyanophenyl)benzonitrile;2-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile
CID 158737110
2-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-carbazol-9-ylphenyl]phenyl]-3-isocyanobenzonitrile
CID 153411275
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-cyanophenyl]benzonitrile
CID 166987592
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432271
2-[8-[9-[5-(2,6-dicyanophenyl)-[1]benzofuro[3,2-c]carbazol-2-yl]carbazol-3-yl]-2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,3-dicarbonitrile
CID 155449823
3-carbazol-9-yl-5-(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 121324616
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 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile?
The IUPAC name of 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile (CID 139340001) is 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile.
What is the SMILES notation for 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile?
The canonical SMILES for 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile is N#Cc1cc(-c2ccccc2)ccc1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile?
The InChIKey is ZVXVAFZXVCNJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c50-30-33-28-32(31-12-2-1-3-13-31)22-24-35(33)38-25-23-34(29-46(38)52-42-18-8-4-14-36(42)37-15-5-9-19-43(37)52)51-44-20-10-6-17-41(44)48-45(51)27-26-40-39-16-7-11-21-47(39)53-49(40)48/h1-29H.
What are the key properties of 2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile?
2-[4-([1]benzofuro[3,2-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile has a molecular weight of 675.79 g/mol, XLogP of 12.99, 4 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-c]carbazol-5-yl)-2-carbazol-9-ylphenyl]-5-phenylbenzonitrile is sourced from PubChem (CID 139340001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).