6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile

C26H16N2 — CID 142316299

IUPAC6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
SMILESCc1ccc2c(ccc3c(C#N)c(C#N)c4ccc5cc(C)ccc5c4c32)c1
InChIInChI=1S/C26H16N2/c1-15-3-7-19-17(11-15)5-9-21-23(13-27)24(14-28)22-10-6-18-12-16(2)4-8-20(18)26(22)25(19)21/h3-12H,1-2H3
InChIKeyFMMACFDVFHWVQT-UHFFFAOYSA-N
MW356.43 g/mol
LogP6.66
Rot. Bonds

About 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile

6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile (PubChem CID 142316299) has the molecular formula C26H16N2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile.

Molecular Properties

Compound Name6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
PubChem CID142316299
Molecular FormulaC26H16N2
Molecular Weight356.43 g/mol
Exact Mass356.13
IUPAC Name6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
SMILESCc1ccc2c(ccc3c(C#N)c(C#N)c4ccc5cc(C)ccc5c4c32)c1
InChIInChI=1S/C26H16N2/c1-15-3-7-19-17(11-15)5-9-21-23(13-27)24(14-28)22-10-6-18-12-16(2)4-8-20(18)26(22)25(19)21/h3-12H,1-2H3
InChIKeyFMMACFDVFHWVQT-UHFFFAOYSA-N
XLogP6.66
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile 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

6,19-dihydroxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile
CID 142316288
2,7-dimethylphenanthrene;ethane
CID 91503011
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789
2-ethyl-7-methylphenanthrene
CID 59758331
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
4-hydroxy-6-methylnaphthalene-2-carbonitrile
CID 67309332
1,2,7-trimethylbenzo[e][1]benzothiole
CID 165070523
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
2-bromo-1,6-dimethylnaphthalene
CID 115057574

Frequently Asked Questions

What is the IUPAC name of 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile?
The IUPAC name of 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile (CID 142316299) is 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile.
What is the SMILES notation for 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile?
The canonical SMILES for 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile is Cc1ccc2c(ccc3c(C#N)c(C#N)c4ccc5cc(C)ccc5c4c32)c1.
What is the InChIKey of 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile?
The InChIKey is FMMACFDVFHWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2/c1-15-3-7-19-17(11-15)5-9-21-23(13-27)24(14-28)22-10-6-18-12-16(2)4-8-20(18)26(22)25(19)21/h3-12H,1-2H3.
What are the key properties of 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile?
6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile has a molecular weight of 356.43 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3(8),4,6,9,11,13,15,17(22),18,20-undecaene-12,13-dicarbonitrile is sourced from PubChem (CID 142316299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).