14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C27H20N2O — CID 10475380

IUPAC14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESCN1c2ccccc2-c2c3ccccc3nc3cc(OCc4ccccc4)cc1c23
InChIInChI=1S/C27H20N2O/c1-29-24-14-8-6-12-21(24)26-20-11-5-7-13-22(20)28-23-15-19(16-25(29)27(23)26)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKeyGWPXZUXHNFBLSD-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.72
Rot. Bonds3

About 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 10475380) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID10475380
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESCN1c2ccccc2-c2c3ccccc3nc3cc(OCc4ccccc4)cc1c23
InChIInChI=1S/C27H20N2O/c1-29-24-14-8-6-12-21(24)26-20-11-5-7-13-22(20)28-23-15-19(16-25(29)27(23)26)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKeyGWPXZUXHNFBLSD-UHFFFAOYSA-N
XLogP6.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 10475380) is 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is CN1c2ccccc2-c2c3ccccc3nc3cc(OCc4ccccc4)cc1c23.
What is the InChIKey of 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is GWPXZUXHNFBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-29-24-14-8-6-12-21(24)26-20-11-5-7-13-22(20)28-23-15-19(16-25(29)27(23)26)30-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3.
What are the key properties of 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 388.47 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-11-phenylmethoxy-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 10475380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).