(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one

C28H19NO — CID 102291260

IUPAC(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one
SMILESCc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c2ccc2ccccc32)cc1
InChIInChI=1S/C28H19NO/c1-18-10-12-20(13-11-18)27-23-15-14-19-6-2-3-7-21(19)26(23)28(29-27)17-16-25(30)22-8-4-5-9-24(22)28/h2-17H,1H3/t28-/m1/s1
InChIKeyNFCZTNXFTSDMOQ-MUUNZHRXSA-N
MW385.47 g/mol
LogP6.00
Rot. Bonds1

About (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one

(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one (PubChem CID 102291260) has the molecular formula C28H19NO and a molecular weight of 385.47 g/mol. Its IUPAC name is (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one
PubChem CID102291260
Molecular FormulaC28H19NO
Molecular Weight385.47 g/mol
Exact Mass385.15
IUPAC Name(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one
SMILESCc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c2ccc2ccccc32)cc1
InChIInChI=1S/C28H19NO/c1-18-10-12-20(13-11-18)27-23-15-14-19-6-2-3-7-21(19)26(23)28(29-27)17-16-25(30)22-8-4-5-9-24(22)28/h2-17H,1H3/t28-/m1/s1
InChIKeyNFCZTNXFTSDMOQ-MUUNZHRXSA-N
XLogP6.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one
CID 636991
1-[(E)-3-[4-(benzyliminomethyl)phenyl]prop-2-enoyl]anthracene-9,10-dione
CID 72947874
N-[(2S)-2-benzyl-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946116
N-(diphenylmethylene)-[1,1'-biphenyl]-4-carboxamide
CID 3890685
(3-Methyl-3-phenylisoindol-1-yl)-phenylmethanone
CID 10335626
(3,3-Diphenylisoindol-1-yl)-(4-methylphenyl)methanone
CID 10385547
3-(4-Methylphenyl)-1,1-diphenylisoquinolin-4(1H)-one
CID 13525903
1,1,3-Triphenylisoquinolin-4-one
CID 13525904
1-Methyl-1,3-diphenylisoquinolin-4-one
CID 14570445
3-Methyl-1,1-diphenylisoquinolin-4-one
CID 14570452
1-[3-[2-[2-(4-fluorophenyl)-5-methyl-4-(2,4,6-trifluorophenyl)-3a,9b-dihydro-1H-benzo[e]indol-6-yl]ethyl]phenyl]ethanone
CID 58025934
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-(4-fluoronaphthalen-1-yl)ethanone
CID 91148029

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one?
The IUPAC name of (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one (CID 102291260) is (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one.
What is the SMILES notation for (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one?
The canonical SMILES for (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one is Cc1ccc(C2=N[C@@]3(C=CC(=O)c4ccccc43)c3c2ccc2ccccc32)cc1.
What is the InChIKey of (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one?
The InChIKey is NFCZTNXFTSDMOQ-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H19NO/c1-18-10-12-20(13-11-18)27-23-15-14-19-6-2-3-7-21(19)26(23)28(29-27)17-16-25(30)22-8-4-5-9-24(22)28/h2-17H,1H3/t28-/m1/s1.
What are the key properties of (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one?
(1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one has a molecular weight of 385.47 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-methylphenyl)spiro[benzo[e]isoindole-1,4'-naphthalene]-1'-one is sourced from PubChem (CID 102291260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).