3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

C36H30O2 — CID 176909607

IUPAC3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1c(Cc2ccccc2)cc2ccccc2c1-c1c(OC)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C36H30O2/c1-37-35-29(21-25-13-5-3-6-14-25)23-27-17-9-11-19-31(27)33(35)34-32-20-12-10-18-28(32)24-30(36(34)38-2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3
InChIKeyNJPCLUKHHQRLRW-UHFFFAOYSA-N
MW494.63 g/mol
LogP8.86
Rot. Bonds7

About 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (PubChem CID 176909607) has the molecular formula C36H30O2 and a molecular weight of 494.63 g/mol. Its IUPAC name is 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.

Molecular Properties

Compound Name3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
PubChem CID176909607
Molecular FormulaC36H30O2
Molecular Weight494.63 g/mol
Exact Mass494.22
IUPAC Name3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESCOc1c(Cc2ccccc2)cc2ccccc2c1-c1c(OC)c(Cc2ccccc2)cc2ccccc12
InChIInChI=1S/C36H30O2/c1-37-35-29(21-25-13-5-3-6-14-25)23-27-17-9-11-19-31(27)33(35)34-32-20-12-10-18-28(32)24-30(36(34)38-2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3
InChIKeyNJPCLUKHHQRLRW-UHFFFAOYSA-N
XLogP8.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-methoxynaphthalene
CID 15617899
2-[4-[3-(2-aminoethyl)-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]ethanamine
CID 170886487
3-benzyl-1-(3-benzyl-2-bromonaphthalen-1-yl)-2-bromonaphthalene
CID 176915963
azane;1-benzyl-3-methylnaphthalene
CID 174691048
[benzylsulfanyl-[[4-[3-[[[benzylsulfanyl(methylazaniumylidene)methyl]amino]methyl]-2-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-yl]methylamino]methylidene]-methylazanium
CID 101192603
10-[(4-tert-butylphenyl)methyl]-2,3-dimethoxyphenanthrene
CID 56931273
2-methoxy-1-(2-methoxynaphthalen-1-yl)-3-phenylmethoxynaphthalene
CID 172829442
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
benzylbenzene;methoxymethane
CID 161110966
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
1-(3-iodo-2-methoxynaphthalen-1-yl)-2-methoxy-3-methylnaphthalene
CID 58780214
4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-1-[4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2-hydroxy-3-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-ol
CID 101274377

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The IUPAC name of 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (CID 176909607) is 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.
What is the SMILES notation for 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The canonical SMILES for 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is COc1c(Cc2ccccc2)cc2ccccc2c1-c1c(OC)c(Cc2ccccc2)cc2ccccc12.
What is the InChIKey of 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The InChIKey is NJPCLUKHHQRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30O2/c1-37-35-29(21-25-13-5-3-6-14-25)23-27-17-9-11-19-31(27)33(35)34-32-20-12-10-18-28(32)24-30(36(34)38-2)22-26-15-7-4-8-16-26/h3-20,23-24H,21-22H2,1-2H3.
What are the key properties of 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene has a molecular weight of 494.63 g/mol, XLogP of 8.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-benzyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is sourced from PubChem (CID 176909607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).