1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium

C31H29NOP+ — CID 132577091

IUPAC1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium
SMILES[H]/N=C1\c2ccccc2C(O)C(C)C1C(=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NOP/c1-22-29(30(32)27-20-12-13-21-28(27)31(22)33)23(2)34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-22,29,31-33H,2H2,1H3/q+1/b32-30+
InChIKeyGASKGBYPKPAVTR-NHQGMKOOSA-N
MW462.55 g/mol
LogP5.86
Rot. Bonds5

About 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium

1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium (PubChem CID 132577091) has the molecular formula C31H29NOP+ and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium.

Molecular Properties

Compound Name1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium
PubChem CID132577091
Molecular FormulaC31H29NOP+
Molecular Weight462.55 g/mol
Exact Mass462.20
IUPAC Name1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium
SMILES[H]/N=C1\c2ccccc2C(O)C(C)C1C(=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29NOP/c1-22-29(30(32)27-20-12-13-21-28(27)31(22)33)23(2)34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-22,29,31-33H,2H2,1H3/q+1/b32-30+
InChIKeyGASKGBYPKPAVTR-NHQGMKOOSA-N
XLogP5.86
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(9R,10S)-10-[(E)-2-(benzhydrylideneamino)ethenyl]-3,6-difluoro-9,10-dihydrophenanthren-9-ol
CID 155931217
(9R,10S)-10-[(E)-2-(benzhydrylideneamino)ethenyl]-9,10-dihydrophenanthren-9-ol
CID 155931212
(12R,13S)-13-[(E)-2-(benzhydrylideneamino)ethenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-ol
CID 155931216
2-[3-(2-Hydroxy-2-phenylethanimidoyl)-4-methylphenyl]-2-imino-1-phenylethanol
CID 88811152
6-methyl-3,4-dihydro-2H-naphthalen-1-imine;phenylmethanol
CID 142977779
2-tert-butyl-4-imino-3-methyl-2,3-dihydro-1H-naphthalen-1-ol
CID 148076218
10-imino-9H-phenanthren-9-ol
CID 132486460
CID 132577092
CID 132577092
10-Imino-9-phenyl-9,10-dihydroanthracen-9-ol
CID 177839517

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium?
The IUPAC name of 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium (CID 132577091) is 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium.
What is the SMILES notation for 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium?
The canonical SMILES for 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium is [H]/N=C1\c2ccccc2C(O)C(C)C1C(=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium?
The InChIKey is GASKGBYPKPAVTR-NHQGMKOOSA-N. The full InChI is InChI=1S/C31H29NOP/c1-22-29(30(32)27-20-12-13-21-28(27)31(22)33)23(2)34(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-22,29,31-33H,2H2,1H3/q+1/b32-30+.
What are the key properties of 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium?
1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium has a molecular weight of 462.55 g/mol, XLogP of 5.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-imino-3-methyl-3,4-dihydro-2H-naphthalen-2-yl)ethenyl-triphenylphosphanium is sourced from PubChem (CID 132577091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).