9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one

C38H25NO3 — CID 169207762

IUPAC9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCc5cc(-c6ccccc6)ccc54)cc3Oc3ccc4ccccc4c32)c2ccccc21
InChIInChI=1S/C38H25NO3/c40-37-30-12-6-7-13-31(30)38(42-37)32-17-16-28(23-35(32)41-34-19-15-25-10-4-5-11-29(25)36(34)38)39-21-20-27-22-26(14-18-33(27)39)24-8-2-1-3-9-24/h1-19,22-23H,20-21H2
InChIKeyRIDFIURJADVVAS-UHFFFAOYSA-N
MW543.62 g/mol
LogP8.77
Rot. Bonds2

About 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one

9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one (PubChem CID 169207762) has the molecular formula C38H25NO3 and a molecular weight of 543.62 g/mol. Its IUPAC name is 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one.

Molecular Properties

Compound Name9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
PubChem CID169207762
Molecular FormulaC38H25NO3
Molecular Weight543.62 g/mol
Exact Mass543.18
IUPAC Name9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
SMILESO=C1OC2(c3ccc(N4CCc5cc(-c6ccccc6)ccc54)cc3Oc3ccc4ccccc4c32)c2ccccc21
InChIInChI=1S/C38H25NO3/c40-37-30-12-6-7-13-31(30)38(42-37)32-17-16-28(23-35(32)41-34-19-15-25-10-4-5-11-29(25)36(34)38)39-21-20-27-22-26(14-18-33(27)39)24-8-2-1-3-9-24/h1-19,22-23H,20-21H2
InChIKeyRIDFIURJADVVAS-UHFFFAOYSA-N
XLogP8.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.62
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10'-(2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,7'-benzo[c]xanthene]-1-one
CID 169207723
2',6'-di(piperidin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 15918903
6'-[butan-2-yl(ethyl)amino]-2'-(3,4-dihydro-2H-quinolin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139704941
9'-(1-ethoxyethoxy)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
CID 146600223
6'-(N-methylanilino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 20661807
3',6'-bis(triazirin-1-yl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 2840289
6'-(dibutylamino)-2'-phenylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139781460
3,3-bis(2-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
CID 71339065
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
18,18-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656562
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909

Frequently Asked Questions

What is the IUPAC name of 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one?
The IUPAC name of 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one (CID 169207762) is 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one.
What is the SMILES notation for 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one?
The canonical SMILES for 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one is O=C1OC2(c3ccc(N4CCc5cc(-c6ccccc6)ccc54)cc3Oc3ccc4ccccc4c32)c2ccccc21.
What is the InChIKey of 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one?
The InChIKey is RIDFIURJADVVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25NO3/c40-37-30-12-6-7-13-31(30)38(42-37)32-17-16-28(23-35(32)41-34-19-15-25-10-4-5-11-29(25)36(34)38)39-21-20-27-22-26(14-18-33(27)39)24-8-2-1-3-9-24/h1-19,22-23H,20-21H2.
What are the key properties of 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one?
9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one has a molecular weight of 543.62 g/mol, XLogP of 8.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-(5-phenyl-2,3-dihydroindol-1-yl)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one is sourced from PubChem (CID 169207762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).