2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

C29H20N4 — CID 58882240

IUPAC2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESNc1ccc2c3ccccc3c3[nH]c(-c4c(-c5ccccc5)[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C29H20N4/c30-18-14-15-20-19-10-4-5-11-21(19)27-28(23(20)16-18)33-29(32-27)25-22-12-6-7-13-24(22)31-26(25)17-8-2-1-3-9-17/h1-16,31H,30H2,(H,32,33)
InChIKeyJSHNFZFDYSNEGN-UHFFFAOYSA-N
MW424.51 g/mol
LogP7.27
Rot. Bonds2

About 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine

2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (PubChem CID 58882240) has the molecular formula C29H20N4 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.

Molecular Properties

Compound Name2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
PubChem CID58882240
Molecular FormulaC29H20N4
Molecular Weight424.51 g/mol
Exact Mass424.17
IUPAC Name2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
SMILESNc1ccc2c3ccccc3c3[nH]c(-c4c(-c5ccccc5)[nH]c5ccccc45)nc3c2c1
InChIInChI=1S/C29H20N4/c30-18-14-15-20-19-10-4-5-11-21(19)27-28(23(20)16-18)33-29(32-27)25-22-12-6-7-13-24(22)31-26(25)17-8-2-1-3-9-17/h1-16,31H,30H2,(H,32,33)
InChIKeyJSHNFZFDYSNEGN-UHFFFAOYSA-N
XLogP7.27
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The IUPAC name of 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine (CID 58882240) is 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine.
What is the SMILES notation for 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The canonical SMILES for 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is Nc1ccc2c3ccccc3c3[nH]c(-c4c(-c5ccccc5)[nH]c5ccccc45)nc3c2c1.
What is the InChIKey of 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
The InChIKey is JSHNFZFDYSNEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4/c30-18-14-15-20-19-10-4-5-11-21(19)27-28(23(20)16-18)33-29(32-27)25-22-12-6-7-13-24(22)31-26(25)17-8-2-1-3-9-17/h1-16,31H,30H2,(H,32,33).
What are the key properties of 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine?
2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine has a molecular weight of 424.51 g/mol, XLogP of 7.27, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine is sourced from PubChem (CID 58882240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).