(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine

C29H26NO2P — CID 10647239

IUPAC(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC(c1ccccc1)/C2=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26NO2P/c1-32-24-18-20-28-23(21-24)17-19-27(22-11-5-2-6-12-22)29(28)30-33(31,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,18,20-21,27H,17,19H2,1H3/b30-29+
InChIKeyWHOLAFPGFQWOMS-QVIHXGFCSA-N
MW451.51 g/mol
LogP6.14
Rot. Bonds5

About (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine

(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 10647239) has the molecular formula C29H26NO2P and a molecular weight of 451.51 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID10647239
Molecular FormulaC29H26NO2P
Molecular Weight451.51 g/mol
Exact Mass451.17
IUPAC Name(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC(c1ccccc1)/C2=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H26NO2P/c1-32-24-18-20-28-23(21-24)17-19-27(22-11-5-2-6-12-22)29(28)30-33(31,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,18,20-21,27H,17,19H2,1H3/b30-29+
InChIKeyWHOLAFPGFQWOMS-QVIHXGFCSA-N
XLogP6.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 56.14
H-Bond Donors ≤ 50
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

(E)-N-diphenylphosphoryl-2-(3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-imine
CID 10599690
(NE)-N-(7-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 10635537
(E)-N-diphenylphosphoryl-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-imine
CID 10503852
(NE)-N-[2-(4-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
CID 10659475
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(3S)-7-methoxy-1-methylsulfanyl-3-phenyl-4,5-dihydro-3H-2-benzazepine
CID 125490806
2-(furan-2-yl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14084383
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
1-[(3R,3aR)-7-methoxy-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone
CID 872521
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
6-methoxy-2-(propan-2-ylamino)-3,4-dihydro-2H-naphthalen-1-one
CID 84627517
(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine
CID 10782437

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine (CID 10647239) is (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine is COc1ccc2c(c1)CCC(c1ccccc1)/C2=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is WHOLAFPGFQWOMS-QVIHXGFCSA-N. The full InChI is InChI=1S/C29H26NO2P/c1-32-24-18-20-28-23(21-24)17-19-27(22-11-5-2-6-12-22)29(28)30-33(31,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,18,20-21,27H,17,19H2,1H3/b30-29+.
What are the key properties of (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine?
(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 451.51 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 10647239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).