9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine

C25H17N5 — CID 163429526

IUPAC9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine
SMILESCc1ccc2ccc3c(-c4ccc5cc(N)c6cccnc6c5n4)ccnc3c2n1
InChIInChI=1S/C25H17N5/c1-14-4-5-15-6-8-18-17(10-12-28-24(18)22(15)29-14)21-9-7-16-13-20(26)19-3-2-11-27-25(19)23(16)30-21/h2-13H,26H2,1H3
InChIKeyAPHUQKJJIHHKKZ-UHFFFAOYSA-N
MW387.45 g/mol
LogP5.44
Rot. Bonds1

About 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine

9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine (PubChem CID 163429526) has the molecular formula C25H17N5 and a molecular weight of 387.45 g/mol. Its IUPAC name is 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine.

Molecular Properties

Compound Name9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine
PubChem CID163429526
Molecular FormulaC25H17N5
Molecular Weight387.45 g/mol
Exact Mass387.15
IUPAC Name9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine
SMILESCc1ccc2ccc3c(-c4ccc5cc(N)c6cccnc6c5n4)ccnc3c2n1
InChIInChI=1S/C25H17N5/c1-14-4-5-15-6-8-18-17(10-12-28-24(18)22(15)29-14)21-9-7-16-13-20(26)19-3-2-11-27-25(19)23(16)30-21/h2-13H,26H2,1H3
InChIKeyAPHUQKJJIHHKKZ-UHFFFAOYSA-N
XLogP5.44
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iron;tris(1,10-phenanthrolin-5-amine)
CID 67973166
4-(2-methylquinolin-6-yl)-1,10-phenanthroline
CID 145180172
dichloroiron;2-methyl-1,10-phenanthroline
CID 175695507
2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
2-[6-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780808
7-methyl-2-[3-[3-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-1,10-phenanthroline
CID 138662447
2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 165104577
2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
CID 145451181
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-[3-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 159054381
2-[7-(2-benzo[h]quinolin-6-ylquinolin-7-yl)quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[7-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-7-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[7-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline;2-phenyl-9-[7-[2-(9-phenyl-1,10-phenanthrolin-2-yl)quinolin-7-yl]quinolin-2-yl]-1,10-phenanthroline
CID 165047840
benzo[h]quinoline-5,10-diamine
CID 121329472
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279

Frequently Asked Questions

What is the IUPAC name of 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine?
The IUPAC name of 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine (CID 163429526) is 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine.
What is the SMILES notation for 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine?
The canonical SMILES for 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine is Cc1ccc2ccc3c(-c4ccc5cc(N)c6cccnc6c5n4)ccnc3c2n1.
What is the InChIKey of 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine?
The InChIKey is APHUQKJJIHHKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5/c1-14-4-5-15-6-8-18-17(10-12-28-24(18)22(15)29-14)21-9-7-16-13-20(26)19-3-2-11-27-25(19)23(16)30-21/h2-13H,26H2,1H3.
What are the key properties of 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine?
9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine has a molecular weight of 387.45 g/mol, XLogP of 5.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-methyl-1,10-phenanthrolin-4-yl)-1,10-phenanthrolin-5-amine is sourced from PubChem (CID 163429526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).