10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one

C32H37NO — CID 121420343

IUPAC10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one
SMILESO=C1C2=C(CCCC2)C2(C3=C(CCC=C3)N(C3C=CC=CC3)C3=C2CCCC3)C2=C1CCCC2
InChIInChI=1S/C32H37NO/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/h1-3,8,12,18,22H,4-7,9-11,13-17,19-21H2
InChIKeyRSRWAIGIJCHTKR-UHFFFAOYSA-N
MW451.65 g/mol
LogP7.93
Rot. Bonds1

About 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one

10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one (PubChem CID 121420343) has the molecular formula C32H37NO and a molecular weight of 451.65 g/mol. Its IUPAC name is 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one.

Molecular Properties

Compound Name10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one
PubChem CID121420343
Molecular FormulaC32H37NO
Molecular Weight451.65 g/mol
Exact Mass451.29
IUPAC Name10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one
SMILESO=C1C2=C(CCCC2)C2(C3=C(CCC=C3)N(C3C=CC=CC3)C3=C2CCCC3)C2=C1CCCC2
InChIInChI=1S/C32H37NO/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/h1-3,8,12,18,22H,4-7,9-11,13-17,19-21H2
InChIKeyRSRWAIGIJCHTKR-UHFFFAOYSA-N
XLogP7.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.65
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one?
The IUPAC name of 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one (CID 121420343) is 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one.
What is the SMILES notation for 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one?
The canonical SMILES for 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one is O=C1C2=C(CCCC2)C2(C3=C(CCC=C3)N(C3C=CC=CC3)C3=C2CCCC3)C2=C1CCCC2.
What is the InChIKey of 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one?
The InChIKey is RSRWAIGIJCHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO/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/h1-3,8,12,18,22H,4-7,9-11,13-17,19-21H2.
What are the key properties of 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one?
10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one has a molecular weight of 451.65 g/mol, XLogP of 7.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-cyclohexa-2,4-dien-1-ylspiro[1,2,3,4,5,6,7,8-octahydroanthracene-10,9'-1,2,3,4,5,6-hexahydroacridine]-9-one is sourced from PubChem (CID 121420343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).