7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine

C34H26Br4MnN4O4 — CID 158487250

IUPAC7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine
SMILESCC(N)CN.Cc1cnc2c3ccc(Br)cc3c3cc(Br)ccc3c2n1.O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21.O=[Mn]=O
InChIInChI=1S/C17H10Br2N2.C14H6Br2O2.C3H10N2.Mn.2O/c1-9-8-20-16-12-4-2-10(18)6-14(12)15-7-11(19)3-5-13(15)17(16)21-9;15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17;1-3(5)2-4;;;/h2-8H,1H3;1-6H;3H,2,4-5H2,1H3;;;
InChIKeyHPAJZANPGUSSDA-UHFFFAOYSA-N
MW929.16 g/mol
LogP9.08
Rot. Bonds1

About 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine

7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine (PubChem CID 158487250) has the molecular formula C34H26Br4MnN4O4 and a molecular weight of 929.16 g/mol. Its IUPAC name is 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine.

Molecular Properties

Compound Name7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine
PubChem CID158487250
Molecular FormulaC34H26Br4MnN4O4
Molecular Weight929.16 g/mol
Exact Mass924.81
IUPAC Name7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine
SMILESCC(N)CN.Cc1cnc2c3ccc(Br)cc3c3cc(Br)ccc3c2n1.O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21.O=[Mn]=O
InChIInChI=1S/C17H10Br2N2.C14H6Br2O2.C3H10N2.Mn.2O/c1-9-8-20-16-12-4-2-10(18)6-14(12)15-7-11(19)3-5-13(15)17(16)21-9;15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17;1-3(5)2-4;;;/h2-8H,1H3;1-6H;3H,2,4-5H2,1H3;;;
InChIKeyHPAJZANPGUSSDA-UHFFFAOYSA-N
XLogP9.08
TPSA146.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.16
LogP ≤ 59.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-8-quinolinyl-1-naphthamide
CID 1254486
N-[3-(8-aminoquinolin-4-yl)phenyl]-4-bromo-3-methylbenzamide
CID 76309876
N-[3-(8-acetamidoquinolin-4-yl)phenyl]-4-bromo-3-methylbenzamide
CID 76317095
3-[(4-bromophenyl)methyl-methylamino]-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 134948923
5-bromo-2-(3-oxobutyl)-N-quinolin-8-ylbenzamide
CID 135057561
(R)-3,4-bis(4-bromophenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1(2H)-one
CID 164511168
(R)-6-bromo-2-(7-methylquinolin-8-yl)-3,4-diphenylisoquinolin-1(2H)-one
CID 164511189
4-bromo-2-ethyl-N-quinolin-8-ylbenzamide
CID 176434401
5-bromo-2-phenyl-N-quinolin-8-ylbenzamide
CID 102098496
6-Bromo-naphthalene-2-carboxylic acid quinolin-3-ylamide
CID 11538093
1-[7-(2-Oxo-2-phenylacetyl)phenanthro[9,10-b]pyrazin-10-yl]-2-phenylethane-1,2-dione
CID 59308922
4-bromo-2,6-diethyl-N-quinolin-8-yl-benzamide
CID 86699768

Frequently Asked Questions

What is the IUPAC name of 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine?
The IUPAC name of 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine (CID 158487250) is 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine.
What is the SMILES notation for 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine?
The canonical SMILES for 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine is CC(N)CN.Cc1cnc2c3ccc(Br)cc3c3cc(Br)ccc3c2n1.O=C1C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21.O=[Mn]=O.
What is the InChIKey of 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine?
The InChIKey is HPAJZANPGUSSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2N2.C14H6Br2O2.C3H10N2.Mn.2O/c1-9-8-20-16-12-4-2-10(18)6-14(12)15-7-11(19)3-5-13(15)17(16)21-9;15-7-1-3-9-11(5-7)12-6-8(16)2-4-10(12)14(18)13(9)17;1-3(5)2-4;;;/h2-8H,1H3;1-6H;3H,2,4-5H2,1H3;;;.
What are the key properties of 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine?
7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine has a molecular weight of 929.16 g/mol, XLogP of 9.08, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dibromo-3-methylphenanthro[9,10-b]pyrazine;3,6-dibromophenanthrene-9,10-dione;dioxomanganese;propane-1,2-diamine is sourced from PubChem (CID 158487250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).