3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde

C24H15N3O — CID 143655540

IUPAC3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
SMILESO=Cc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C24H15N3O/c28-13-14-9-10-17-20(12-25-21(17)11-14)24-26-22-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23(22)27-24/h1-13,25H,(H,26,27)
InChIKeyRCYAKXZALZLIMA-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.83
Rot. Bonds2

About 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde

3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde (PubChem CID 143655540) has the molecular formula C24H15N3O and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde.

Molecular Properties

Compound Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
PubChem CID143655540
Molecular FormulaC24H15N3O
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
SMILESO=Cc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1
InChIInChI=1S/C24H15N3O/c28-13-14-9-10-17-20(12-25-21(17)11-14)24-26-22-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23(22)27-24/h1-13,25H,(H,26,27)
InChIKeyRCYAKXZALZLIMA-UHFFFAOYSA-N
XLogP5.83
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methylhydrazine;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde
CID 143655539
2-(1H-indol-3-yl)-5-methyl-1H-phenanthro[9,10-d]imidazole
CID 88972587
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;ethane
CID 143047895
2-(5-ethenyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 89277515
1-[2-(1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 58882302
CID 89232067
CID 89232067
CID 89277516
CID 89277516
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882286
2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
2-amino-N-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]acetamide
CID 58882242
3-bromo-1H-indole-6-carbaldehyde
CID 74787786

Frequently Asked Questions

What is the IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde?
The IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde (CID 143655540) is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde.
What is the SMILES notation for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde?
The canonical SMILES for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde is O=Cc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c[nH]c2c1.
What is the InChIKey of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde?
The InChIKey is RCYAKXZALZLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O/c28-13-14-9-10-17-20(12-25-21(17)11-14)24-26-22-18-7-3-1-5-15(18)16-6-2-4-8-19(16)23(22)27-24/h1-13,25H,(H,26,27).
What are the key properties of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde?
3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde has a molecular weight of 361.40 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-indole-6-carbaldehyde is sourced from PubChem (CID 143655540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).