spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

C23H14N2 — CID 19083248

IUPACspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C23H14N2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22/h1-14H
InChIKeyDRXUKNGBCQEAOM-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.82
Rot. Bonds

About spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (PubChem CID 19083248) has the molecular formula C23H14N2 and a molecular weight of 318.38 g/mol. Its IUPAC name is spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Namespiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
PubChem CID19083248
Molecular FormulaC23H14N2
Molecular Weight318.38 g/mol
Exact Mass318.12
IUPAC Namespiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21
InChIInChI=1S/C23H14N2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22/h1-14H
InChIKeyDRXUKNGBCQEAOM-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The IUPAC name of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (CID 19083248) is spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cccnc2-c2ncccc21.
What is the InChIKey of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The InChIKey is DRXUKNGBCQEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N2/c1-3-9-17-15(7-1)16-8-2-4-10-18(16)23(17)19-11-5-13-24-21(19)22-20(23)12-6-14-25-22/h1-14H.
What are the key properties of spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] has a molecular weight of 318.38 g/mol, XLogP of 4.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 19083248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).