6-aminophenanthrene-1-carbaldehyde

C15H11NO — CID 140767754

IUPAC6-aminophenanthrene-1-carbaldehyde
SMILESNc1ccc2ccc3c(C=O)cccc3c2c1
InChIInChI=1S/C15H11NO/c16-12-6-4-10-5-7-13-11(9-17)2-1-3-14(13)15(10)8-12/h1-9H,16H2
InChIKeyOMUPBONANKUNDM-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.39
Rot. Bonds1

About 6-aminophenanthrene-1-carbaldehyde

6-aminophenanthrene-1-carbaldehyde (PubChem CID 140767754) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-aminophenanthrene-1-carbaldehyde.

Molecular Properties

Compound Name6-aminophenanthrene-1-carbaldehyde
PubChem CID140767754
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name6-aminophenanthrene-1-carbaldehyde
SMILESNc1ccc2ccc3c(C=O)cccc3c2c1
InChIInChI=1S/C15H11NO/c16-12-6-4-10-5-7-13-11(9-17)2-1-3-14(13)15(10)8-12/h1-9H,16H2
InChIKeyOMUPBONANKUNDM-UHFFFAOYSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxyphenanthrene-1-carbaldehyde
CID 130176583
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
7-aminonaphthalene-1-thiol
CID 4713131
7-methylnaphthalene-1-carbaldehyde
CID 15657410
5-bromonaphthalene-1,6-dicarbaldehyde
CID 22151791
phenanthrene-2,3-dicarbaldehyde
CID 10466547
6-aminonaphthalene-1-thiol;7-aminonaphthalene-1-thiol
CID 67419716
7-(bromomethyl)naphthalene-1-carbaldehyde
CID 118815566
rubicene-5,12-diamine
CID 15635222
chrysene-1,2,3-tricarbaldehyde
CID 141144423
bicyclo[2.2.2]octa-2,5-diene;phenanthren-3-amine;4-phenylbenzaldehyde
CID 159876270

Frequently Asked Questions

What is the IUPAC name of 6-aminophenanthrene-1-carbaldehyde?
The IUPAC name of 6-aminophenanthrene-1-carbaldehyde (CID 140767754) is 6-aminophenanthrene-1-carbaldehyde.
What is the SMILES notation for 6-aminophenanthrene-1-carbaldehyde?
The canonical SMILES for 6-aminophenanthrene-1-carbaldehyde is Nc1ccc2ccc3c(C=O)cccc3c2c1.
What is the InChIKey of 6-aminophenanthrene-1-carbaldehyde?
The InChIKey is OMUPBONANKUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c16-12-6-4-10-5-7-13-11(9-17)2-1-3-14(13)15(10)8-12/h1-9H,16H2.
What are the key properties of 6-aminophenanthrene-1-carbaldehyde?
6-aminophenanthrene-1-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminophenanthrene-1-carbaldehyde is sourced from PubChem (CID 140767754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).