CID 101475276

C21H27BrCuN2 — CID 101475276

IUPAC—
SMILESCc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.[Br-].[Cu+]
InChIInChI=1S/C21H27N2.BrH.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h9-13H,7-8H2,1-6H3;1H;/q;;+1/p-1
InChIKeyVOBSQJJUMNGITO-UHFFFAOYSA-M
MW450.91 g/mol
LogP1.98
Rot. Bonds2

About CID 101475276

CID 101475276 (PubChem CID 101475276) has the molecular formula C21H27BrCuN2 and a molecular weight of 450.91 g/mol.

Molecular Properties

Compound NameCID 101475276
PubChem CID101475276
Molecular FormulaC21H27BrCuN2
Molecular Weight450.91 g/mol
Exact Mass449.07
IUPAC Name—
SMILESCc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.[Br-].[Cu+]
InChIInChI=1S/C21H27N2.BrH.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h9-13H,7-8H2,1-6H3;1H;/q;;+1/p-1
InChIKeyVOBSQJJUMNGITO-UHFFFAOYSA-M
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 101475276?
The IUPAC name of CID 101475276 (CID 101475276) is not available.
What is the SMILES notation for CID 101475276?
The canonical SMILES for CID 101475276 is Cc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)CC2)c(C)c1.[Br-].[Cu+].
What is the InChIKey of CID 101475276?
The InChIKey is VOBSQJJUMNGITO-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H27N2.BrH.Cu/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;;/h9-13H,7-8H2,1-6H3;1H;/q;;+1/p-1.
What are the key properties of CID 101475276?
CID 101475276 has a molecular weight of 450.91 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101475276 is sourced from PubChem (CID 101475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).