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

C23H12Br2N2 — CID 19083250

IUPAC2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cccnc2-c2ncccc21
InChIInChI=1S/C23H12Br2N2/c24-13-5-7-15-16-8-6-14(25)12-20(16)23(19(15)11-13)17-3-1-9-26-21(17)22-18(23)4-2-10-27-22/h1-12H
InChIKeyXOXOIMPMESDWAQ-UHFFFAOYSA-N
MW476.17 g/mol
LogP6.35
Rot. Bonds

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

2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (PubChem CID 19083250) has the molecular formula C23H12Br2N2 and a molecular weight of 476.17 g/mol. Its IUPAC name is 2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
PubChem CID19083250
Molecular FormulaC23H12Br2N2
Molecular Weight476.17 g/mol
Exact Mass473.94
IUPAC Name2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESBrc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cccnc2-c2ncccc21
InChIInChI=1S/C23H12Br2N2/c24-13-5-7-15-16-8-6-14(25)12-20(16)23(19(15)11-13)17-3-1-9-26-21(17)22-18(23)4-2-10-27-22/h1-12H
InChIKeyXOXOIMPMESDWAQ-UHFFFAOYSA-N
XLogP6.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.17
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 2',7'-dibromospiro[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 2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (CID 19083250) is 2',7'-dibromospiro[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 2',7'-dibromospiro[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 2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is Brc1ccc2c(c1)C1(c3cc(Br)ccc3-2)c2cccnc2-c2ncccc21.
What is the InChIKey of 2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The InChIKey is XOXOIMPMESDWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Br2N2/c24-13-5-7-15-16-8-6-14(25)12-20(16)23(19(15)11-13)17-3-1-9-26-21(17)22-18(23)4-2-10-27-22/h1-12H.
What are the key properties of 2',7'-dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
2',7'-dibromospiro[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 476.17 g/mol, XLogP of 6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-dibromospiro[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 19083250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).