7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone

C30H16N2O4 — CID 10073329

IUPAC7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
SMILESO=c1c2cc3cc4cc5c(=O)n(-c6ccccc6)c(=O)c5cc4cc3cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H16N2O4/c33-27-23-13-17-11-19-15-25-26(30(36)32(29(25)35)22-9-5-2-6-10-22)16-20(19)12-18(17)14-24(23)28(34)31(27)21-7-3-1-4-8-21/h1-16H
InChIKeyAYAZPSSAXWGAGH-UHFFFAOYSA-N
MW468.47 g/mol
LogP4.20
Rot. Bonds2

About 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone

7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone (PubChem CID 10073329) has the molecular formula C30H16N2O4 and a molecular weight of 468.47 g/mol. Its IUPAC name is 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone.

Molecular Properties

Compound Name7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
PubChem CID10073329
Molecular FormulaC30H16N2O4
Molecular Weight468.47 g/mol
Exact Mass468.11
IUPAC Name7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone
SMILESO=c1c2cc3cc4cc5c(=O)n(-c6ccccc6)c(=O)c5cc4cc3cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C30H16N2O4/c33-27-23-13-17-11-19-15-25-26(30(36)32(29(25)35)22-9-5-2-6-10-22)16-20(19)12-18(17)14-24(23)28(34)31(27)21-7-3-1-4-8-21/h1-16H
InChIKeyAYAZPSSAXWGAGH-UHFFFAOYSA-N
XLogP4.20
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone?
The IUPAC name of 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone (CID 10073329) is 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone.
What is the SMILES notation for 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone?
The canonical SMILES for 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone is O=c1c2cc3cc4cc5c(=O)n(-c6ccccc6)c(=O)c5cc4cc3cc2c(=O)n1-c1ccccc1.
What is the InChIKey of 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone?
The InChIKey is AYAZPSSAXWGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16N2O4/c33-27-23-13-17-11-19-15-25-26(30(36)32(29(25)35)22-9-5-2-6-10-22)16-20(19)12-18(17)14-24(23)28(34)31(27)21-7-3-1-4-8-21/h1-16H.
What are the key properties of 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone?
7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone has a molecular weight of 468.47 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,17-diphenyl-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,9,11,13,15(19)-heptaene-6,8,16,18-tetrone is sourced from PubChem (CID 10073329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).