4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde

C32H27NO2 — CID 86595517

IUPAC4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde
SMILESO=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C32H27NO2/c34-23-28-16-19-32(31-20-29(17-18-30(28)31)35-24-27-14-8-3-9-15-27)33(21-25-10-4-1-5-11-25)22-26-12-6-2-7-13-26/h1-20,23H,21-22,24H2
InChIKeyNUPPWTQBQSLBRF-UHFFFAOYSA-N
MW457.57 g/mol
LogP7.44
Rot. Bonds9

About 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde

4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde (PubChem CID 86595517) has the molecular formula C32H27NO2 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde
PubChem CID86595517
Molecular FormulaC32H27NO2
Molecular Weight457.57 g/mol
Exact Mass457.20
IUPAC Name4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde
SMILESO=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C32H27NO2/c34-23-28-16-19-32(31-20-29(17-18-30(28)31)35-24-27-14-8-3-9-15-27)33(21-25-10-4-1-5-11-25)22-26-12-6-2-7-13-26/h1-20,23H,21-22,24H2
InChIKeyNUPPWTQBQSLBRF-UHFFFAOYSA-N
XLogP7.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-(dibenzylamino)-5-phenylmethoxybenzonitrile
CID 170987093
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
CID 172651179
1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 143599926
N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
8-phenylmethoxypyrene-1-carbaldehyde
CID 19738636
2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
4-methyl-6-phenylmethoxyquinoline-2-carbonitrile
CID 82573287

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde?
The IUPAC name of 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde (CID 86595517) is 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde?
The canonical SMILES for 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde is O=Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde?
The InChIKey is NUPPWTQBQSLBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO2/c34-23-28-16-19-32(31-20-29(17-18-30(28)31)35-24-27-14-8-3-9-15-27)33(21-25-10-4-1-5-11-25)22-26-12-6-2-7-13-26/h1-20,23H,21-22,24H2.
What are the key properties of 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde?
4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde has a molecular weight of 457.57 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 86595517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).