6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene

C52H70O2 — CID 122217633

IUPAC6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc2c(c1-c1c3c(cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c1OC)CCCC3)CCCC2
InChIInChI=1S/C52H70O2/c1-29(2)37-25-41(31(5)6)47(42(26-37)32(7)8)45-23-35-19-15-17-21-39(35)49(51(45)53-13)50-40-22-18-16-20-36(40)24-46(52(50)54-14)48-43(33(9)10)27-38(30(3)4)28-44(48)34(11)12/h23-34H,15-22H2,1-14H3
InChIKeyOTGKGVKCADINPB-UHFFFAOYSA-N
MW727.13 g/mol
LogP15.20
Rot. Bonds11

About 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene

6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 122217633) has the molecular formula C52H70O2 and a molecular weight of 727.13 g/mol. Its IUPAC name is 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID122217633
Molecular FormulaC52H70O2
Molecular Weight727.13 g/mol
Exact Mass726.54
IUPAC Name6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCOc1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc2c(c1-c1c3c(cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c1OC)CCCC3)CCCC2
InChIInChI=1S/C52H70O2/c1-29(2)37-25-41(31(5)6)47(42(26-37)32(7)8)45-23-35-19-15-17-21-39(35)49(51(45)53-13)50-40-22-18-16-20-36(40)24-46(52(50)54-14)48-43(33(9)10)27-38(30(3)4)28-44(48)34(11)12/h23-34H,15-22H2,1-14H3
InChIKeyOTGKGVKCADINPB-UHFFFAOYSA-N
XLogP15.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.13
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 122217633) is 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene is COc1c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc2c(c1-c1c3c(cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c1OC)CCCC3)CCCC2.
What is the InChIKey of 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OTGKGVKCADINPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H70O2/c1-29(2)37-25-41(31(5)6)47(42(26-37)32(7)8)45-23-35-19-15-17-21-39(35)49(51(45)53-13)50-40-22-18-16-20-36(40)24-46(52(50)54-14)48-43(33(9)10)27-38(30(3)4)28-44(48)34(11)12/h23-34H,15-22H2,1-14H3.
What are the key properties of 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene?
6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 727.13 g/mol, XLogP of 15.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[2-methoxy-3-[2,4,6-tri(propan-2-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-7-[2,4,6-tri(propan-2-yl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 122217633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).