[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium

C35H34NO4+ — CID 90897948

IUPAC[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium
SMILESC=[N+](C)c1c(-c2ccc(OC)c(OC)c2C)c(-c2ccc(-c3ccccc3)cc2)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C35H34NO4/c1-22-27(17-18-30(37-4)35(22)40-7)33-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)19-26-20-31(38-5)32(39-6)21-29(26)34(33)36(2)3/h8-21H,2H2,1,3-7H3/q+1
InChIKeyOCEYGEHIZKWSIY-UHFFFAOYSA-N
MW532.66 g/mol
LogP8.16
Rot. Bonds8

About [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium

[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium (PubChem CID 90897948) has the molecular formula C35H34NO4+ and a molecular weight of 532.66 g/mol. Its IUPAC name is [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium.

Molecular Properties

Compound Name[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium
PubChem CID90897948
Molecular FormulaC35H34NO4+
Molecular Weight532.66 g/mol
Exact Mass532.25
IUPAC Name[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium
SMILESC=[N+](C)c1c(-c2ccc(OC)c(OC)c2C)c(-c2ccc(-c3ccccc3)cc2)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C35H34NO4/c1-22-27(17-18-30(37-4)35(22)40-7)33-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)19-26-20-31(38-5)32(39-6)21-29(26)34(33)36(2)3/h8-21H,2H2,1,3-7H3/q+1
InChIKeyOCEYGEHIZKWSIY-UHFFFAOYSA-N
XLogP8.16
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
6,7-dimethoxy-2-phenylnaphthalen-1-amine
CID 11208231
5,6-dimethoxy-1,3-diphenylnaphthalen-2-ol
CID 10915274
3-methoxy-1-methyl-2-phenylnaphthalene
CID 71079447
1,5-di(butan-2-yl)-2-(3,4-dimethoxy-2-methylphenyl)-4-phenyl-3-propylbenzene
CID 123205311
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
CID 11418585
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
6,7,8-trimethoxy-1,3-diphenylnaphthalen-2-ol
CID 102302660
2-methoxy-1,4-dimethyl-3,5-diphenylbenzene
CID 173306181
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium?
The IUPAC name of [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium (CID 90897948) is [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium.
What is the SMILES notation for [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium?
The canonical SMILES for [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium is C=[N+](C)c1c(-c2ccc(OC)c(OC)c2C)c(-c2ccc(-c3ccccc3)cc2)cc2cc(OC)c(OC)cc12.
What is the InChIKey of [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium?
The InChIKey is OCEYGEHIZKWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34NO4/c1-22-27(17-18-30(37-4)35(22)40-7)33-28(25-15-13-24(14-16-25)23-11-9-8-10-12-23)19-26-20-31(38-5)32(39-6)21-29(26)34(33)36(2)3/h8-21H,2H2,1,3-7H3/q+1.
What are the key properties of [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium?
[2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium has a molecular weight of 532.66 g/mol, XLogP of 8.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxy-3-(4-phenylphenyl)naphthalen-1-yl]-methyl-methylideneazanium is sourced from PubChem (CID 90897948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).