pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile

C26H10N4 — CID 146436976

IUPACpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c2c(c1C#N)c1ccccc1c1ccc3ccccc3c12
InChIInChI=1S/C26H10N4/c27-11-20-21(12-28)23(14-30)26-24-16-6-2-1-5-15(16)9-10-19(24)17-7-3-4-8-18(17)25(26)22(20)13-29/h1-10H
InChIKeyBQBXBYVQJOOHNO-UHFFFAOYSA-N
MW378.39 g/mol
LogP5.79
Rot. Bonds

About pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile

pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile (PubChem CID 146436976) has the molecular formula C26H10N4 and a molecular weight of 378.39 g/mol. Its IUPAC name is pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile.

Molecular Properties

Compound Namepentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
PubChem CID146436976
Molecular FormulaC26H10N4
Molecular Weight378.39 g/mol
Exact Mass378.09
IUPAC Namepentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c2c(c1C#N)c1ccccc1c1ccc3ccccc3c12
InChIInChI=1S/C26H10N4/c27-11-20-21(12-28)23(14-30)26-24-16-6-2-1-5-15(16)9-10-19(24)17-7-3-4-8-18(17)25(26)22(20)13-29/h1-10H
InChIKeyBQBXBYVQJOOHNO-UHFFFAOYSA-N
XLogP5.79
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile 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

CID 2336
CID 2336
CID 31423
CID 31423
CID 5954
CID 5954
CID 9117
CID 9117
CID 9128
CID 9128
CID 9171
CID 9171
CID 16932
CID 16932
CID 9119
CID 9119
CID 5889
CID 5889
CID 9106
CID 9106
CID 9108
CID 9108
CID 9126
CID 9126

Frequently Asked Questions

What is the IUPAC name of pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile?
The IUPAC name of pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile (CID 146436976) is pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile.
What is the SMILES notation for pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile?
The canonical SMILES for pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile is N#Cc1c(C#N)c(C#N)c2c(c1C#N)c1ccccc1c1ccc3ccccc3c12.
What is the InChIKey of pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile?
The InChIKey is BQBXBYVQJOOHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H10N4/c27-11-20-21(12-28)23(14-30)26-24-16-6-2-1-5-15(16)9-10-19(24)17-7-3-4-8-18(17)25(26)22(20)13-29/h1-10H.
What are the key properties of pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile?
pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile has a molecular weight of 378.39 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-9,10,11,12-tetracarbonitrile is sourced from PubChem (CID 146436976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).