2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde

C24H16O — CID 87584563

IUPAC2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12
InChIInChI=1S/C24H16O/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24/h1-15,24H
InChIKeyHPCPDWSDYGMHSY-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.81
Rot. Bonds2

About 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde

2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde (PubChem CID 87584563) has the molecular formula C24H16O and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
PubChem CID87584563
Molecular FormulaC24H16O
Molecular Weight320.39 g/mol
Exact Mass320.12
IUPAC Name2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde
SMILESO=Cc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12
InChIInChI=1S/C24H16O/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24/h1-15,24H
InChIKeyHPCPDWSDYGMHSY-UHFFFAOYSA-N
XLogP5.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde?
The IUPAC name of 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde (CID 87584563) is 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde?
The canonical SMILES for 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde is O=Cc1c(C2c3ccccc3-c3ccccc32)ccc2ccccc12.
What is the InChIKey of 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde?
The InChIKey is HPCPDWSDYGMHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O/c25-15-23-17-8-2-1-7-16(17)13-14-22(23)24-20-11-5-3-9-18(20)19-10-4-6-12-21(19)24/h1-15,24H.
What are the key properties of 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde?
2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde has a molecular weight of 320.39 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 87584563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).