6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene

C20H14N2 — CID 130290510

IUPAC6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=CNC2C=c3cc4cc5ncccc5cc4cc3=CC2=C1
InChIInChI=1S/C20H14N2/c1-3-13-7-15-9-16-8-14-4-2-6-22-20(14)12-18(16)10-17(15)11-19(13)21-5-1/h1-12,19,21H
InChIKeyWRCLINPLTWPMJB-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.37
Rot. Bonds

About 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene

6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene (PubChem CID 130290510) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene.

Molecular Properties

Compound Name6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene
PubChem CID130290510
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene
SMILESC1=CNC2C=c3cc4cc5ncccc5cc4cc3=CC2=C1
InChIInChI=1S/C20H14N2/c1-3-13-7-15-9-16-8-14-4-2-6-22-20(14)12-18(16)10-17(15)11-19(13)21-5-1/h1-12,19,21H
InChIKeyWRCLINPLTWPMJB-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 67935451
cyclododeca[g]quinoline
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7-methyl-6,7,8,9-tetrahydrobenzo[g]quinoline
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CID 129087589
9H-benzo[g]quinolin-9-ide
CID 102325536
bis(6-bromoquinoline);hydrate
CID 174834691
nickel(2+);quinoline;diiodide
CID 162206226
1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline
CID 143179476
1H-pyrido[3,2-g]quinazoline-2,4-dione
CID 142642120
2,3-dihydro-1H-pyrido[3,2-g][1,4]benzoxazine
CID 21353728

Frequently Asked Questions

What is the IUPAC name of 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene?
The IUPAC name of 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene (CID 130290510) is 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene.
What is the SMILES notation for 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene?
The canonical SMILES for 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene is C1=CNC2C=c3cc4cc5ncccc5cc4cc3=CC2=C1.
What is the InChIKey of 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene?
The InChIKey is WRCLINPLTWPMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-3-13-7-15-9-16-8-14-4-2-6-22-20(14)12-18(16)10-17(15)11-19(13)21-5-1/h1-12,19,21H.
What are the key properties of 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene?
6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene has a molecular weight of 282.35 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18-decaene is sourced from PubChem (CID 130290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).