9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine

C36H32N6 — CID 59736535

IUPAC9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine
SMILESCc1cc(-c2ccc3ccc4ccc(N(C)C)nc4c3n2)c(C)cc1-c1ccc2ccc3ccc(N(C)C)nc3c2n1
InChIInChI=1S/C36H32N6/c1-21-19-28(30-16-12-24-8-10-26-14-18-32(42(5)6)40-36(26)34(24)38-30)22(2)20-27(21)29-15-11-23-7-9-25-13-17-31(41(3)4)39-35(25)33(23)37-29/h7-20H,1-6H3
InChIKeyMINYJAGQUPSJOG-UHFFFAOYSA-N
MW548.69 g/mol
LogP7.96
Rot. Bonds4

About 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine

9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine (PubChem CID 59736535) has the molecular formula C36H32N6 and a molecular weight of 548.69 g/mol. Its IUPAC name is 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound Name9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine
PubChem CID59736535
Molecular FormulaC36H32N6
Molecular Weight548.69 g/mol
Exact Mass548.27
IUPAC Name9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine
SMILESCc1cc(-c2ccc3ccc4ccc(N(C)C)nc4c3n2)c(C)cc1-c1ccc2ccc3ccc(N(C)C)nc3c2n1
InChIInChI=1S/C36H32N6/c1-21-19-28(30-16-12-24-8-10-26-14-18-32(42(5)6)40-36(26)34(24)38-30)22(2)20-27(21)29-15-11-23-7-9-25-13-17-31(41(3)4)39-35(25)33(23)37-29/h7-20H,1-6H3
InChIKeyMINYJAGQUPSJOG-UHFFFAOYSA-N
XLogP7.96
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine with MolForge

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Related Compounds

6-(4-Methyl-piperazin-1-yl)-phenanthridine
CID 9993659
Vuf-10148
CID 24759623
6-(4-Methyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10381797
7-(2,6-Dimethylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
CID 49841611
Dibenzo(f,h)pyrido(2,3-b)quinoxaline
CID 258692
10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride
CID 387546
6-Piperazin-1-yl-benzo[k]phenanthridine
CID 10041280
6-(4-Ethyl-piperazin-1-yl)-benzo[k]phenanthridine
CID 10315280
6-(4-Methyl-piperazin-1-yl)-7,8-dihydro-benzo[k]phenanthridine
CID 10381927
6-(4-Ethyl-piperazin-1-yl)-7,8-dihydro-benzo[k]phenanthridine
CID 10450144
2-(4-Methyl-piperazin-1-yl)-benzo[h]quinoline
CID 10612585
6-(4-Benzyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 10618332

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine?
The IUPAC name of 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine (CID 59736535) is 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine.
What is the SMILES notation for 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine?
The canonical SMILES for 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine is Cc1cc(-c2ccc3ccc4ccc(N(C)C)nc4c3n2)c(C)cc1-c1ccc2ccc3ccc(N(C)C)nc3c2n1.
What is the InChIKey of 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine?
The InChIKey is MINYJAGQUPSJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6/c1-21-19-28(30-16-12-24-8-10-26-14-18-32(42(5)6)40-36(26)34(24)38-30)22(2)20-27(21)29-15-11-23-7-9-25-13-17-31(41(3)4)39-35(25)33(23)37-29/h7-20H,1-6H3.
What are the key properties of 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine?
9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine has a molecular weight of 548.69 g/mol, XLogP of 7.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9-(dimethylamino)-1,10-phenanthrolin-2-yl]-2,5-dimethylphenyl]-N,N-dimethyl-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 59736535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).