2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene

C36H32O4 — CID 146294520

IUPAC2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2cc3c(c(-c4c(OC)c(-c5ccc(OC)cc5)cc5ccccc45)c2OC)C=CCC3)cc1
InChIInChI=1S/C36H32O4/c1-37-27-17-13-23(14-18-27)31-21-25-9-5-7-11-29(25)33(35(31)39-3)34-30-12-8-6-10-26(30)22-32(36(34)40-4)24-15-19-28(38-2)20-16-24/h5,7-9,11-22H,6,10H2,1-4H3
InChIKeyLCBUGDWTRJYZLO-UHFFFAOYSA-N
MW528.65 g/mol
LogP8.83
Rot. Bonds7

About 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene

2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene (PubChem CID 146294520) has the molecular formula C36H32O4 and a molecular weight of 528.65 g/mol. Its IUPAC name is 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene
PubChem CID146294520
Molecular FormulaC36H32O4
Molecular Weight528.65 g/mol
Exact Mass528.23
IUPAC Name2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene
SMILESCOc1ccc(-c2cc3c(c(-c4c(OC)c(-c5ccc(OC)cc5)cc5ccccc45)c2OC)C=CCC3)cc1
InChIInChI=1S/C36H32O4/c1-37-27-17-13-23(14-18-27)31-21-25-9-5-7-11-29(25)33(35(31)39-3)34-30-12-8-6-10-26(30)22-32(36(34)40-4)24-15-19-28(38-2)20-16-24/h5,7-9,11-22H,6,10H2,1-4H3
InChIKeyLCBUGDWTRJYZLO-UHFFFAOYSA-N
XLogP8.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.65
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
9-[3-methoxy-4-[2-methoxy-3-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]-10-naphthalen-2-ylanthracene
CID 154996191
4-deuterio-10-(4-methoxyphenyl)phenanthrene
CID 135034400
9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159025961
CID 144989571
CID 144989571
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
3,6-dibromo-9-[4-(1,2-dihydrophenanthren-9-yl)phenyl]carbazole
CID 118972219
N-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-N-(3-phenanthren-9-ylphenyl)-6-phenylnaphthalen-2-amine
CID 142614464
7-methyl-10-phenyl-1,2-dihydroanthracene
CID 142428670
7-[6-(3,4-dihydroanthracen-9-yl)-3-pyridinyl]-3,10-dimethyl-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),5,7,9,11(15),12-octaene
CID 154591761
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene?
The IUPAC name of 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene (CID 146294520) is 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene.
What is the SMILES notation for 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene?
The canonical SMILES for 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene is COc1ccc(-c2cc3c(c(-c4c(OC)c(-c5ccc(OC)cc5)cc5ccccc45)c2OC)C=CCC3)cc1.
What is the InChIKey of 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene?
The InChIKey is LCBUGDWTRJYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32O4/c1-37-27-17-13-23(14-18-27)31-21-25-9-5-7-11-29(25)33(35(31)39-3)34-30-12-8-6-10-26(30)22-32(36(34)40-4)24-15-19-28(38-2)20-16-24/h5,7-9,11-22H,6,10H2,1-4H3.
What are the key properties of 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene?
2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene has a molecular weight of 528.65 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene is sourced from PubChem (CID 146294520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).