7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde

C38H25NO — CID 89335591

IUPAC7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C38H25NO/c40-25-26-19-21-32-33-22-20-29(39(27-11-3-1-4-12-27)28-13-5-2-6-14-28)24-37(33)38(36(32)23-26)34-17-9-7-15-30(34)31-16-8-10-18-35(31)38/h1-25H
InChIKeyVSIGVWUIYBGTQJ-UHFFFAOYSA-N
MW511.62 g/mol
LogP9.31
Rot. Bonds4

About 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde

7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde (PubChem CID 89335591) has the molecular formula C38H25NO and a molecular weight of 511.62 g/mol. Its IUPAC name is 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde.

Molecular Properties

Compound Name7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde
PubChem CID89335591
Molecular FormulaC38H25NO
Molecular Weight511.62 g/mol
Exact Mass511.19
IUPAC Name7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde
SMILESO=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2
InChIInChI=1S/C38H25NO/c40-25-26-19-21-32-33-22-20-29(39(27-11-3-1-4-12-27)28-13-5-2-6-14-28)24-37(33)38(36(32)23-26)34-17-9-7-15-30(34)31-16-8-10-18-35(31)38/h1-25H
InChIKeyVSIGVWUIYBGTQJ-UHFFFAOYSA-N
XLogP9.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The IUPAC name of 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde (CID 89335591) is 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde.
What is the SMILES notation for 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The canonical SMILES for 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde is O=Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(N(c3ccccc3)c3ccccc3)ccc1-2.
What is the InChIKey of 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
The InChIKey is VSIGVWUIYBGTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO/c40-25-26-19-21-32-33-22-20-29(39(27-11-3-1-4-12-27)28-13-5-2-6-14-28)24-37(33)38(36(32)23-26)34-17-9-7-15-30(34)31-16-8-10-18-35(31)38/h1-25H.
What are the key properties of 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde?
7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde has a molecular weight of 511.62 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-carbaldehyde is sourced from PubChem (CID 89335591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).