1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile

C30H16N4O — CID 121360326

IUPAC1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2ccc3oc4ccc(-n5ccc6cc(C#N)ccc65)cc4c3c2)c1
InChIInChI=1S/C30H16N4O/c31-17-19-1-5-27-21(13-19)9-11-33(27)23-3-7-29-25(15-23)26-16-24(4-8-30(26)35-29)34-12-10-22-14-20(18-32)2-6-28(22)34/h1-16H
InChIKeyUTRYBYZRHPGFCF-UHFFFAOYSA-N
MW448.49 g/mol
LogP7.22
Rot. Bonds2

About 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile

1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile (PubChem CID 121360326) has the molecular formula C30H16N4O and a molecular weight of 448.49 g/mol. Its IUPAC name is 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile
PubChem CID121360326
Molecular FormulaC30H16N4O
Molecular Weight448.49 g/mol
Exact Mass448.13
IUPAC Name1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2ccc3oc4ccc(-n5ccc6cc(C#N)ccc65)cc4c3c2)c1
InChIInChI=1S/C30H16N4O/c31-17-19-1-5-27-21(13-19)9-11-33(27)23-3-7-29-25(15-23)26-16-24(4-8-30(26)35-29)34-12-10-22-14-20(18-32)2-6-28(22)34/h1-16H
InChIKeyUTRYBYZRHPGFCF-UHFFFAOYSA-N
XLogP7.22
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile 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

9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
1-[8-[(Z)-3-amino-3-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]prop-2-enimidoyl]dibenzofuran-2-yl]indole-5-carbonitrile;toluene
CID 145083143
1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
CID 145083191
1-(2-methylphenyl)indole-5-carbonitrile
CID 174335464
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
9-dibenzofuran-2-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole-3-carbonitrile
CID 118152672
17-dibenzofuran-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546212
3-(5-methoxyindol-1-yl)benzonitrile
CID 13324712
9-[8-(3-cyano-6-isocyanocarbazol-9-yl)dibenzofuran-2-yl]-6-methylcarbazole-3-carbonitrile
CID 162022797
9-[8-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 122546258
8-fluorodibenzofuran-2-carbonitrile
CID 153329356

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile?
The IUPAC name of 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile (CID 121360326) is 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile.
What is the SMILES notation for 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile?
The canonical SMILES for 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile is N#Cc1ccc2c(ccn2-c2ccc3oc4ccc(-n5ccc6cc(C#N)ccc65)cc4c3c2)c1.
What is the InChIKey of 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile?
The InChIKey is UTRYBYZRHPGFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N4O/c31-17-19-1-5-27-21(13-19)9-11-33(27)23-3-7-29-25(15-23)26-16-24(4-8-30(26)35-29)34-12-10-22-14-20(18-32)2-6-28(22)34/h1-16H.
What are the key properties of 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile?
1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile has a molecular weight of 448.49 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-cyanoindol-1-yl)dibenzofuran-2-yl]indole-5-carbonitrile is sourced from PubChem (CID 121360326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).