10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene

C24H15N3O2 — CID 142725706

IUPAC10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESO=[N+]([O-])c1ccccc1C1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C24H15N3O2/c28-27(29)22-11-5-1-7-16(22)15-13-18-17-8-2-4-10-21(17)26-23-12-6-3-9-19(23)25-20(14-15)24(18)26/h1-12,14H,13H2
InChIKeySAAMNMBSDYVRJR-UHFFFAOYSA-N
MW377.40 g/mol
LogP5.65
Rot. Bonds2

About 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene

10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (PubChem CID 142725706) has the molecular formula C24H15N3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene.

Molecular Properties

Compound Name10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
PubChem CID142725706
Molecular FormulaC24H15N3O2
Molecular Weight377.40 g/mol
Exact Mass377.12
IUPAC Name10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene
SMILESO=[N+]([O-])c1ccccc1C1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1
InChIInChI=1S/C24H15N3O2/c28-27(29)22-11-5-1-7-16(22)15-13-18-17-8-2-4-10-21(17)26-23-12-6-3-9-19(23)25-20(14-15)24(18)26/h1-12,14H,13H2
InChIKeySAAMNMBSDYVRJR-UHFFFAOYSA-N
XLogP5.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The IUPAC name of 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene (CID 142725706) is 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene.
What is the SMILES notation for 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The canonical SMILES for 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene is O=[N+]([O-])c1ccccc1C1=Cc2nc3ccccc3n3c2c(c2ccccc23)C1.
What is the InChIKey of 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
The InChIKey is SAAMNMBSDYVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O2/c28-27(29)22-11-5-1-7-16(22)15-13-18-17-8-2-4-10-21(17)26-23-12-6-3-9-19(23)25-20(14-15)24(18)26/h1-12,14H,13H2.
What are the key properties of 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene?
10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene has a molecular weight of 377.40 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-nitrophenyl)-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),10,12,14,16,18-nonaene is sourced from PubChem (CID 142725706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).