9,10-diphenylphenanthrene-3-carbaldehyde

C27H18O — CID 102277124

IUPAC9,10-diphenylphenanthrene-3-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2c1
InChIInChI=1S/C27H18O/c28-18-19-15-16-24-25(17-19)22-13-7-8-14-23(22)26(20-9-3-1-4-10-20)27(24)21-11-5-2-6-12-21/h1-18H
InChIKeyIZWKUYFGVOXILD-UHFFFAOYSA-N
MW358.44 g/mol
LogP7.14
Rot. Bonds3

About 9,10-diphenylphenanthrene-3-carbaldehyde

9,10-diphenylphenanthrene-3-carbaldehyde (PubChem CID 102277124) has the molecular formula C27H18O and a molecular weight of 358.44 g/mol. Its IUPAC name is 9,10-diphenylphenanthrene-3-carbaldehyde.

Molecular Properties

Compound Name9,10-diphenylphenanthrene-3-carbaldehyde
PubChem CID102277124
Molecular FormulaC27H18O
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name9,10-diphenylphenanthrene-3-carbaldehyde
SMILESO=Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2c1
InChIInChI=1S/C27H18O/c28-18-19-15-16-24-25(17-19)22-13-7-8-14-23(22)26(20-9-3-1-4-10-20)27(24)21-11-5-2-6-12-21/h1-18H
InChIKeyIZWKUYFGVOXILD-UHFFFAOYSA-N
XLogP7.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 9,10-diphenylphenanthrene-3-carbaldehyde?
The IUPAC name of 9,10-diphenylphenanthrene-3-carbaldehyde (CID 102277124) is 9,10-diphenylphenanthrene-3-carbaldehyde.
What is the SMILES notation for 9,10-diphenylphenanthrene-3-carbaldehyde?
The canonical SMILES for 9,10-diphenylphenanthrene-3-carbaldehyde is O=Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c2c1.
What is the InChIKey of 9,10-diphenylphenanthrene-3-carbaldehyde?
The InChIKey is IZWKUYFGVOXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O/c28-18-19-15-16-24-25(17-19)22-13-7-8-14-23(22)26(20-9-3-1-4-10-20)27(24)21-11-5-2-6-12-21/h1-18H.
What are the key properties of 9,10-diphenylphenanthrene-3-carbaldehyde?
9,10-diphenylphenanthrene-3-carbaldehyde has a molecular weight of 358.44 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diphenylphenanthrene-3-carbaldehyde is sourced from PubChem (CID 102277124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).