3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione

C34H18N2O2 — CID 14198931

IUPAC3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione
SMILESO=C1c2ccccc2-c2c3c(nc4ccccc24)C2C(=O)c4ccccc4-c4c2c(nc2ccccc42)C13
InChIInChI=1S/C34H18N2O2/c37-33-19-11-3-1-9-17(19)25-21-13-5-7-15-23(21)35-31-27(25)29(33)32-28-26(22-14-6-8-16-24(22)36-32)18-10-2-4-12-20(18)34(38)30(28)31/h1-16,29-30H
InChIKeyXVDGGBFACFKMOS-UHFFFAOYSA-N
MW486.53 g/mol
LogP7.09
Rot. Bonds

About 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione

3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione (PubChem CID 14198931) has the molecular formula C34H18N2O2 and a molecular weight of 486.53 g/mol. Its IUPAC name is 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione.

Molecular Properties

Compound Name3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione
PubChem CID14198931
Molecular FormulaC34H18N2O2
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione
SMILESO=C1c2ccccc2-c2c3c(nc4ccccc24)C2C(=O)c4ccccc4-c4c2c(nc2ccccc42)C13
InChIInChI=1S/C34H18N2O2/c37-33-19-11-3-1-9-17(19)25-21-13-5-7-15-23(21)35-31-27(25)29(33)32-28-26(22-14-6-8-16-24(22)36-32)18-10-2-4-12-20(18)34(38)30(28)31/h1-16,29-30H
InChIKeyXVDGGBFACFKMOS-UHFFFAOYSA-N
XLogP7.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.53
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione?
The IUPAC name of 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione (CID 14198931) is 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione.
What is the SMILES notation for 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione?
The canonical SMILES for 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione is O=C1c2ccccc2-c2c3c(nc4ccccc24)C2C(=O)c4ccccc4-c4c2c(nc2ccccc42)C13.
What is the InChIKey of 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione?
The InChIKey is XVDGGBFACFKMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O2/c37-33-19-11-3-1-9-17(19)25-21-13-5-7-15-23(21)35-31-27(25)29(33)32-28-26(22-14-6-8-16-24(22)36-32)18-10-2-4-12-20(18)34(38)30(28)31/h1-16,29-30H.
What are the key properties of 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione?
3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione has a molecular weight of 486.53 g/mol, XLogP of 7.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,20-diazanonacyclo[17.15.1.12,10.04,9.011,16.021,26.027,35.028,33.018,36]hexatriaconta-2,4,6,8,10(36),11,13,15,19,21,23,25,27(35),28,30,32-hexadecaene-17,34-dione is sourced from PubChem (CID 14198931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).