2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene

C22H18N2 — CID 23659227

IUPAC2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
SMILESc1ccc2cc3c(cc2c1)CNc1cc2ccccc2cc1CN3
InChIInChI=1S/C22H18N2/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24-21/h1-12,23-24H,13-14H2
InChIKeyHJNMGAJSLKCODW-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.53
Rot. Bonds

About 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene

2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene (PubChem CID 23659227) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene.

Molecular Properties

Compound Name2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
PubChem CID23659227
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene
SMILESc1ccc2cc3c(cc2c1)CNc1cc2ccccc2cc1CN3
InChIInChI=1S/C22H18N2/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24-21/h1-12,23-24H,13-14H2
InChIKeyHJNMGAJSLKCODW-UHFFFAOYSA-N
XLogP5.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene?
The IUPAC name of 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene (CID 23659227) is 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene.
What is the SMILES notation for 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene?
The canonical SMILES for 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene is c1ccc2cc3c(cc2c1)CNc1cc2ccccc2cc1CN3.
What is the InChIKey of 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene?
The InChIKey is HJNMGAJSLKCODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24-21/h1-12,23-24H,13-14H2.
What are the key properties of 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene?
2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene has a molecular weight of 310.40 g/mol, XLogP of 5.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),4,6,8,10,12,16,18,20,22-decaene is sourced from PubChem (CID 23659227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).