10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene

C25H16N2O2+2 — CID 23392780

IUPAC10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene
SMILESC1=[N+]2c3cccc4cccc(c34)[N+]3=Cc4ccccc4OC23Oc2ccccc21
InChIInChI=1S/C25H16N2O2/c1-3-13-22-18(7-1)15-26-20-11-5-9-17-10-6-12-21(24(17)20)27-16-19-8-2-4-14-23(19)29-25(26,27)28-22/h1-16H/q+2
InChIKeyCFRCKVGMQJBOIC-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.78
Rot. Bonds

About 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene

10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene (PubChem CID 23392780) has the molecular formula C25H16N2O2+2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene.

Molecular Properties

Compound Name10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene
PubChem CID23392780
Molecular FormulaC25H16N2O2+2
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC Name10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene
SMILESC1=[N+]2c3cccc4cccc(c34)[N+]3=Cc4ccccc4OC23Oc2ccccc21
InChIInChI=1S/C25H16N2O2/c1-3-13-22-18(7-1)15-26-20-11-5-9-17-10-6-12-21(24(17)20)27-16-19-8-2-4-14-23(19)29-25(26,27)28-22/h1-16H/q+2
InChIKeyCFRCKVGMQJBOIC-UHFFFAOYSA-N
XLogP4.78
TPSA24.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene?
The IUPAC name of 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene (CID 23392780) is 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene.
What is the SMILES notation for 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene?
The canonical SMILES for 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene is C1=[N+]2c3cccc4cccc(c34)[N+]3=Cc4ccccc4OC23Oc2ccccc21.
What is the InChIKey of 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene?
The InChIKey is CFRCKVGMQJBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2/c1-3-13-22-18(7-1)15-26-20-11-5-9-17-10-6-12-21(24(17)20)27-16-19-8-2-4-14-23(19)29-25(26,27)28-22/h1-16H/q+2.
What are the key properties of 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene?
10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene has a molecular weight of 376.42 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12-dioxa-2,20-diazoniaheptacyclo[19.7.1.02,11.04,9.011,20.013,18.025,29]nonacosa-1(28),2,4,6,8,13,15,17,19,21,23,25(29),26-tridecaene is sourced from PubChem (CID 23392780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).