10-phenylspiro[acridine-9,10'-anthracene]-9'-one

C32H21NO — CID 59156120

IUPAC10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C32H21NO/c34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-21H
InChIKeyASXSTQHYXCIZRV-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.40
Rot. Bonds1

About 10-phenylspiro[acridine-9,10'-anthracene]-9'-one

10-phenylspiro[acridine-9,10'-anthracene]-9'-one (PubChem CID 59156120) has the molecular formula C32H21NO and a molecular weight of 435.53 g/mol. Its IUPAC name is 10-phenylspiro[acridine-9,10'-anthracene]-9'-one.

Molecular Properties

Compound Name10-phenylspiro[acridine-9,10'-anthracene]-9'-one
PubChem CID59156120
Molecular FormulaC32H21NO
Molecular Weight435.53 g/mol
Exact Mass435.16
IUPAC Name10-phenylspiro[acridine-9,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C32H21NO/c34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-21H
InChIKeyASXSTQHYXCIZRV-UHFFFAOYSA-N
XLogP7.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The IUPAC name of 10-phenylspiro[acridine-9,10'-anthracene]-9'-one (CID 59156120) is 10-phenylspiro[acridine-9,10'-anthracene]-9'-one.
What is the SMILES notation for 10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The canonical SMILES for 10-phenylspiro[acridine-9,10'-anthracene]-9'-one is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N(c1ccccc1)c1ccccc12.
What is the InChIKey of 10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
The InChIKey is ASXSTQHYXCIZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO/c34-31-23-14-4-6-16-25(23)32(26-17-7-5-15-24(26)31)27-18-8-10-20-29(27)33(22-12-2-1-3-13-22)30-21-11-9-19-28(30)32/h1-21H.
What are the key properties of 10-phenylspiro[acridine-9,10'-anthracene]-9'-one?
10-phenylspiro[acridine-9,10'-anthracene]-9'-one has a molecular weight of 435.53 g/mol, XLogP of 7.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenylspiro[acridine-9,10'-anthracene]-9'-one is sourced from PubChem (CID 59156120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).