2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C26H24Br2N2O4 — CID 59861066

IUPAC2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2cc(Br)c3c4c(c(Br)cc(c24)C(=O)N1C1CCCCC1)C(=O)N(C1CCCCC1)C3=O
InChIInChI=1S/C26H24Br2N2O4/c27-17-11-15-19-16(24(32)29(23(15)31)13-7-3-1-4-8-13)12-18(28)21-22(19)20(17)25(33)30(26(21)34)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyHKCNGTIWXOSJMS-UHFFFAOYSA-N
MW588.30 g/mol
LogP6.22
Rot. Bonds2

About 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 59861066) has the molecular formula C26H24Br2N2O4 and a molecular weight of 588.30 g/mol. Its IUPAC name is 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
PubChem CID59861066
Molecular FormulaC26H24Br2N2O4
Molecular Weight588.30 g/mol
Exact Mass586.01
IUPAC Name2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
SMILESO=C1c2cc(Br)c3c4c(c(Br)cc(c24)C(=O)N1C1CCCCC1)C(=O)N(C1CCCCC1)C3=O
InChIInChI=1S/C26H24Br2N2O4/c27-17-11-15-19-16(24(32)29(23(15)31)13-7-3-1-4-8-13)12-18(28)21-22(19)20(17)25(33)30(26(21)34)14-9-5-2-6-10-14/h11-14H,1-10H2
InChIKeyHKCNGTIWXOSJMS-UHFFFAOYSA-N
XLogP6.22
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.30
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The IUPAC name of 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 59861066) is 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is O=C1c2cc(Br)c3c4c(c(Br)cc(c24)C(=O)N1C1CCCCC1)C(=O)N(C1CCCCC1)C3=O.
What is the InChIKey of 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
The InChIKey is HKCNGTIWXOSJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Br2N2O4/c27-17-11-15-19-16(24(32)29(23(15)31)13-7-3-1-4-8-13)12-18(28)21-22(19)20(17)25(33)30(26(21)34)14-9-5-2-6-10-14/h11-14H,1-10H2.
What are the key properties of 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?
2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 588.30 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dibromo-6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59861066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).