5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde

C21H16N2O — CID 123494095

IUPAC5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
SMILESNc1ccc(-c2ccc3c(c2)cc(C=O)n3-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c22-18-9-6-15(7-10-18)16-8-11-21-17(12-16)13-20(14-24)23(21)19-4-2-1-3-5-19/h1-14H,22H2
InChIKeyKARXVOFCOQPZFZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.69
Rot. Bonds3

About 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde

5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde (PubChem CID 123494095) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
PubChem CID123494095
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
SMILESNc1ccc(-c2ccc3c(c2)cc(C=O)n3-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c22-18-9-6-15(7-10-18)16-8-11-21-17(12-16)13-20(14-24)23(21)19-4-2-1-3-5-19/h1-14H,22H2
InChIKeyKARXVOFCOQPZFZ-UHFFFAOYSA-N
XLogP4.69
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 58651990
CID 58651990
4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
CID 163197766
1-(4-methoxyphenyl)indole-2-carbaldehyde
CID 139887469
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
2-deuterio-4-(9-phenylcarbazol-3-yl)aniline
CID 175956586
4-(6,9-diphenylcarbazol-3-yl)-2-phenylaniline
CID 90069493
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
CID 172507759
4-(1,2-dimethylindol-5-yl)aniline
CID 116996411
5-(hydroxymethyl)-1-phenylpyrrole-2-carbaldehyde
CID 142730846
2-[4-[3-(4-aminophenyl)carbazol-9-yl]phenyl]benzene-1,4-diamine
CID 174796506
4-(4-aminophenyl)-3-(1-phenylbenzimidazol-2-yl)aniline
CID 175047355
4-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde?
The IUPAC name of 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde (CID 123494095) is 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde.
What is the SMILES notation for 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde?
The canonical SMILES for 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde is Nc1ccc(-c2ccc3c(c2)cc(C=O)n3-c2ccccc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde?
The InChIKey is KARXVOFCOQPZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c22-18-9-6-15(7-10-18)16-8-11-21-17(12-16)13-20(14-24)23(21)19-4-2-1-3-5-19/h1-14H,22H2.
What are the key properties of 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde?
5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde has a molecular weight of 312.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde is sourced from PubChem (CID 123494095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).