N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane

C28H26N6 — CID 145089608

IUPACN,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
SMILESCC.CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccncc2)cc1
InChIInChI=1S/C26H20N6.C2H6/c1-31(2)18-9-7-17(8-10-18)26-30-24-20-5-3-13-28-22(20)23-21(6-4-14-29-23)25(24)32(26)19-11-15-27-16-12-19;1-2/h3-16H,1-2H3;1-2H3
InChIKeyUSXNOUMVLGISCU-UHFFFAOYSA-N
MW446.56 g/mol
LogP6.28
Rot. Bonds3

About N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane

N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane (PubChem CID 145089608) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
PubChem CID145089608
Molecular FormulaC28H26N6
Molecular Weight446.56 g/mol
Exact Mass446.22
IUPAC NameN,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
SMILESCC.CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccncc2)cc1
InChIInChI=1S/C26H20N6.C2H6/c1-31(2)18-9-7-17(8-10-18)26-30-24-20-5-3-13-28-22(20)23-21(6-4-14-29-23)25(24)32(26)19-11-15-27-16-12-19;1-2/h3-16H,1-2H3;1-2H3
InChIKeyUSXNOUMVLGISCU-UHFFFAOYSA-N
XLogP6.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

iridium;4-[3-(4-methylphenyl)imidazo[4,5-f][1,10]phenanthrolin-2-yl]phenol;bis(2-phenylpyridine)
CID 169049656
2-[4-[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]-3-(3,5-dimethylphenyl)imidazo[4,5-f][1,10]phenanthroline
CID 102529074
5-(4-methylphenyl)-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 129269074
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
N-[4-(1,2-diphenylphenanthro[9,10-d]imidazol-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166889866
4-(2-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid
CID 121371773
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704
2,3-bis[4-(trifluoromethyl)phenyl]phenanthro[9,10-d]imidazole
CID 132503187
4-[14-(4-cyanophenyl)-5,15-diphenyl-3,5,13,15-tetrazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(21),2(6),3,7,9,11(22),12(16),13,17,19-decaen-4-yl]benzonitrile
CID 89057621
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279930
2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane?
The IUPAC name of N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane (CID 145089608) is N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane.
What is the SMILES notation for N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane?
The canonical SMILES for N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane is CC.CN(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccncc2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane?
The InChIKey is USXNOUMVLGISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6.C2H6/c1-31(2)18-9-7-17(8-10-18)26-30-24-20-5-3-13-28-22(20)23-21(6-4-14-29-23)25(24)32(26)19-11-15-27-16-12-19;1-2/h3-16H,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane?
N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane has a molecular weight of 446.56 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane is sourced from PubChem (CID 145089608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).