3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine

C24H20N6 — CID 91438525

IUPAC3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1[nH]c2ccc(N)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C24H20N6/c1-12(2)19-18(16-11-13(25)7-8-17(16)28-19)24-29-22-14-5-3-9-26-20(14)21-15(23(22)30-24)6-4-10-27-21/h3-12,28H,25H2,1-2H3,(H,29,30)
InChIKeyFRTDEUWNJONOHO-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.51
Rot. Bonds2

About 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine (PubChem CID 91438525) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine.

Molecular Properties

Compound Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine
PubChem CID91438525
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine
SMILESCC(C)c1[nH]c2ccc(N)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1
InChIInChI=1S/C24H20N6/c1-12(2)19-18(16-11-13(25)7-8-17(16)28-19)24-29-22-14-5-3-9-26-20(14)21-15(23(22)30-24)6-4-10-27-21/h3-12,28H,25H2,1-2H3,(H,29,30)
InChIKeyFRTDEUWNJONOHO-UHFFFAOYSA-N
XLogP5.51
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-chloro-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethyl-1H-indole-5-sulfonamide
CID 12001730
2-(1H-indol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 141245187
2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882240
2-(3,5-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 102048569
4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1-methylindol-2-yl]morpholine
CID 12001538
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
2-cyclopenta-1,3-dien-1-yl-1H-imidazo[4,5-f][1,10]phenanthroline
CID 101473917
2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 15376894
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
2-(2-ethynylphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 166691371
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine?
The IUPAC name of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine (CID 91438525) is 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine.
What is the SMILES notation for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine?
The canonical SMILES for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine is CC(C)c1[nH]c2ccc(N)cc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1.
What is the InChIKey of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine?
The InChIKey is FRTDEUWNJONOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-12(2)19-18(16-11-13(25)7-8-17(16)28-19)24-29-22-14-5-3-9-26-20(14)21-15(23(22)30-24)6-4-10-27-21/h3-12,28H,25H2,1-2H3,(H,29,30).
What are the key properties of 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine?
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine has a molecular weight of 392.47 g/mol, XLogP of 5.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2-propan-2-yl-1H-indol-5-amine is sourced from PubChem (CID 91438525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).