10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C18H11Br2N — CID 121446796

IUPAC10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESBrc1ccc2c(c1)-c1ccccc1-c1cc(Br)ccc1N2
InChIInChI=1S/C18H11Br2N/c19-11-5-7-17-15(9-11)13-3-1-2-4-14(13)16-10-12(20)6-8-18(16)21-17/h1-10,21H
InChIKeyNCSDFRFDLDZHCQ-UHFFFAOYSA-N
MW401.10 g/mol
LogP6.60
Rot. Bonds

About 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 121446796) has the molecular formula C18H11Br2N and a molecular weight of 401.10 g/mol. Its IUPAC name is 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID121446796
Molecular FormulaC18H11Br2N
Molecular Weight401.10 g/mol
Exact Mass398.93
IUPAC Name10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESBrc1ccc2c(c1)-c1ccccc1-c1cc(Br)ccc1N2
InChIInChI=1S/C18H11Br2N/c19-11-5-7-17-15(9-11)13-3-1-2-4-14(13)16-10-12(20)6-8-18(16)21-17/h1-10,21H
InChIKeyNCSDFRFDLDZHCQ-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.10
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 121446796) is 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is Brc1ccc2c(c1)-c1ccccc1-c1cc(Br)ccc1N2.
What is the InChIKey of 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is NCSDFRFDLDZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2N/c19-11-5-7-17-15(9-11)13-3-1-2-4-14(13)16-10-12(20)6-8-18(16)21-17/h1-10,21H.
What are the key properties of 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 401.10 g/mol, XLogP of 6.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 121446796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).