benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione

C70H58N12O4+4 — CID 159003818

IUPACbenzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione
SMILESCc1cc[n+]2c3c1C(=O)C(=O)c1c(C)cc[n+](c1-3)C2.Cc1cc[n+]2c3c1c1nc4ccccc4nc1c1c(C)cc[n+](c13)C2.Cc1ccnc2c1C(=O)C(=O)c1c(C)ccnc1-2.Cc1ccnc2c1ccc1c(C)ccnc12.Nc1ccccc1N
InChIInChI=1S/C21H16N4.C15H12N2O2.C14H10N2O2.C14H12N2.C6H8N2/c1-12-7-9-24-11-25-10-8-13(2)17-19-18(16(12)20(24)21(17)25)22-14-5-3-4-6-15(14)23-19;1-8-3-5-16-7-17-6-4-9(2)11-13(17)12(16)10(8)14(18)15(11)19;1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;7-5-3-1-2-4-6(5)8/h3-10H,11H2,1-2H3;3-6H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;1-4H,7-8H2/q2*+2;;;
InChIKeyZKSVWNFQGHYAID-UHFFFAOYSA-N
MW1131.31 g/mol
LogP10.23
Rot. Bonds

About benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione

benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione (PubChem CID 159003818) has the molecular formula C70H58N12O4+4 and a molecular weight of 1131.31 g/mol. Its IUPAC name is benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione.

Molecular Properties

Compound Namebenzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione
PubChem CID159003818
Molecular FormulaC70H58N12O4+4
Molecular Weight1131.31 g/mol
Exact Mass1130.47
IUPAC Namebenzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione
SMILESCc1cc[n+]2c3c1C(=O)C(=O)c1c(C)cc[n+](c1-3)C2.Cc1cc[n+]2c3c1c1nc4ccccc4nc1c1c(C)cc[n+](c13)C2.Cc1ccnc2c1C(=O)C(=O)c1c(C)ccnc1-2.Cc1ccnc2c1ccc1c(C)ccnc12.Nc1ccccc1N
InChIInChI=1S/C21H16N4.C15H12N2O2.C14H10N2O2.C14H12N2.C6H8N2/c1-12-7-9-24-11-25-10-8-13(2)17-19-18(16(12)20(24)21(17)25)22-14-5-3-4-6-15(14)23-19;1-8-3-5-16-7-17-6-4-9(2)11-13(17)12(16)10(8)14(18)15(11)19;1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;7-5-3-1-2-4-6(5)8/h3-10H,11H2,1-2H3;3-6H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;1-4H,7-8H2/q2*+2;;;
InChIKeyZKSVWNFQGHYAID-UHFFFAOYSA-N
XLogP10.23
TPSA213.18 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.31
LogP ≤ 510.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione?
The IUPAC name of benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione (CID 159003818) is benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione.
What is the SMILES notation for benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione?
The canonical SMILES for benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione is Cc1cc[n+]2c3c1C(=O)C(=O)c1c(C)cc[n+](c1-3)C2.Cc1cc[n+]2c3c1c1nc4ccccc4nc1c1c(C)cc[n+](c13)C2.Cc1ccnc2c1C(=O)C(=O)c1c(C)ccnc1-2.Cc1ccnc2c1ccc1c(C)ccnc12.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione?
The InChIKey is ZKSVWNFQGHYAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4.C15H12N2O2.C14H10N2O2.C14H12N2.C6H8N2/c1-12-7-9-24-11-25-10-8-13(2)17-19-18(16(12)20(24)21(17)25)22-14-5-3-4-6-15(14)23-19;1-8-3-5-16-7-17-6-4-9(2)11-13(17)12(16)10(8)14(18)15(11)19;1-7-3-5-15-11-9(7)13(17)14(18)10-8(2)4-6-16-12(10)11;1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13;7-5-3-1-2-4-6(5)8/h3-10H,11H2,1-2H3;3-6H,7H2,1-2H3;3-6H,1-2H3;3-8H,1-2H3;1-4H,7-8H2/q2*+2;;;.
What are the key properties of benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione?
benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione has a molecular weight of 1131.31 g/mol, XLogP of 10.23, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;4,17-dimethyl-7,14-diaza-1,20-diazoniahexacyclo[18.2.1.05,22.06,15.08,13.016,21]tricosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene;4,9-dimethyl-1,12-diazoniatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8,10,12-hexaene-6,7-dione;4,7-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline-5,6-dione is sourced from PubChem (CID 159003818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).