N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline

C22H18N4 — CID 159031768

IUPACN,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline
SMILESCN(C)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1
InChIInChI=1S/C22H18N4/c1-26(2)15-9-7-14(8-10-15)19-13-18-16-5-3-11-23-21(16)22-17(20(18)25-19)6-4-12-24-22/h3-12H,13H2,1-2H3
InChIKeyANYZJPCROIECFT-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.53
Rot. Bonds2

About N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline

N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline (PubChem CID 159031768) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline
PubChem CID159031768
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC NameN,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline
SMILESCN(C)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1
InChIInChI=1S/C22H18N4/c1-26(2)15-9-7-14(8-10-15)19-13-18-16-5-3-11-23-21(16)22-17(20(18)25-19)6-4-12-24-22/h3-12H,13H2,1-2H3
InChIKeyANYZJPCROIECFT-UHFFFAOYSA-N
XLogP4.53
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 159585735
2-[3,5-bis(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)phenyl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803374
2-(9,9-dimethylfluoren-2-yl)-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803381
2-(5-bromo-1H-indol-3-yl)-3H-pyrrolo[2,3-f][1,10]phenanthroline
CID 157451261
2-[4,6-bis(3H-pyrrolo[3,2-f][4,7]phenanthrolin-2-yl)-1,3,5-triazin-2-yl]-3H-pyrrolo[3,2-f][4,7]phenanthroline
CID 58803367
2-[5-(3H-pyrrolo[3,2-f][1,7]phenanthrolin-2-yl)anthracen-1-yl]-3H-pyrrolo[3,2-f][1,7]phenanthroline
CID 58803383
N,N-dimethyl-4-(3-pyridin-4-ylimidazo[4,5-f][1,10]phenanthrolin-2-yl)aniline;ethane
CID 145089608
4-[4-[3-[4-[4-(dimethylamino)phenyl]buta-1,3-diynyl]pyrazino[2,3-f][1,10]phenanthrolin-2-yl]buta-1,3-diynyl]-N,N-dimethylaniline
CID 12034142
bis[3-[4-(dimethylamino)phenyl]-2-pyridinyl]methanol
CID 70128818
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
bis(N,N-dimethyl-4-pyridin-2-ylaniline);osmium;1,10-phenanthroline;hexafluorophosphate
CID 71715003
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline (CID 159031768) is N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline is CN(C)c1ccc(C2=Nc3c(c4cccnc4c4ncccc34)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline?
The InChIKey is ANYZJPCROIECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-26(2)15-9-7-14(8-10-15)19-13-18-16-5-3-11-23-21(16)22-17(20(18)25-19)6-4-12-24-22/h3-12H,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline?
N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline has a molecular weight of 338.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3H-pyrrolo[2,3-f][1,10]phenanthrolin-2-yl)aniline is sourced from PubChem (CID 159031768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).