2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene

C42H30O2 — CID 10531028

IUPAC2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
SMILESCOc1c(-c2ccc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C42H30O2/c1-43-41-37(33-21-19-27-11-3-5-13-29(27)23-33)25-31-15-7-9-17-35(31)39(41)40-36-18-10-8-16-32(36)26-38(42(40)44-2)34-22-20-28-12-4-6-14-30(28)24-34/h3-26H,1-2H3
InChIKeyDZGYOUPPWPMKOO-UHFFFAOYSA-N
MW566.70 g/mol
LogP11.32
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene

2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene (PubChem CID 10531028) has the molecular formula C42H30O2 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
PubChem CID10531028
Molecular FormulaC42H30O2
Molecular Weight566.70 g/mol
Exact Mass566.22
IUPAC Name2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
SMILESCOc1c(-c2ccc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3c2)cc2ccccc12
InChIInChI=1S/C42H30O2/c1-43-41-37(33-21-19-27-11-3-5-13-29(27)23-33)25-31-15-7-9-17-35(31)39(41)40-36-18-10-8-16-32(36)26-38(42(40)44-2)34-22-20-28-12-4-6-14-30(28)24-34/h3-26H,1-2H3
InChIKeyDZGYOUPPWPMKOO-UHFFFAOYSA-N
XLogP11.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
9-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 86701353
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
2-methoxy-1-[2-methoxy-3-(4-methoxyphenyl)-5,6-dihydronaphthalen-1-yl]-3-(4-methoxyphenyl)naphthalene
CID 146294520
5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59622740
12,12-dimethyl-9,15-dinaphthalen-2-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151535
4-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)phenanthrene
CID 59638749
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene?
The IUPAC name of 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene (CID 10531028) is 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene?
The canonical SMILES for 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene is COc1c(-c2ccc3ccccc3c2)cc2ccccc2c1-c1c(OC)c(-c2ccc3ccccc3c2)cc2ccccc12.
What is the InChIKey of 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene?
The InChIKey is DZGYOUPPWPMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O2/c1-43-41-37(33-21-19-27-11-3-5-13-29(27)23-33)25-31-15-7-9-17-35(31)39(41)40-36-18-10-8-16-32(36)26-38(42(40)44-2)34-22-20-28-12-4-6-14-30(28)24-34/h3-26H,1-2H3.
What are the key properties of 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene?
2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene has a molecular weight of 566.70 g/mol, XLogP of 11.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene is sourced from PubChem (CID 10531028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).