1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene

C32H38O4 — CID 162469481

IUPAC1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene
SMILESCC(C)Oc1cc2cccc(-c3cccc4cc(OC(C)C)c(OC(C)C)cc34)c2cc1OC(C)C
InChIInChI=1S/C32H38O4/c1-19(2)33-29-15-23-11-9-13-25(27(23)17-31(29)35-21(5)6)26-14-10-12-24-16-30(34-20(3)4)32(18-28(24)26)36-22(7)8/h9-22H,1-8H3
InChIKeyJIKLDTSMIUFZLK-UHFFFAOYSA-N
MW486.65 g/mol
LogP8.81
Rot. Bonds9

About 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene

1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene (PubChem CID 162469481) has the molecular formula C32H38O4 and a molecular weight of 486.65 g/mol. Its IUPAC name is 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene.

Molecular Properties

Compound Name1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene
PubChem CID162469481
Molecular FormulaC32H38O4
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC Name1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene
SMILESCC(C)Oc1cc2cccc(-c3cccc4cc(OC(C)C)c(OC(C)C)cc34)c2cc1OC(C)C
InChIInChI=1S/C32H38O4/c1-19(2)33-29-15-23-11-9-13-25(27(23)17-31(29)35-21(5)6)26-14-10-12-24-16-30(34-20(3)4)32(18-28(24)26)36-22(7)8/h9-22H,1-8H3
InChIKeyJIKLDTSMIUFZLK-UHFFFAOYSA-N
XLogP8.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 169043
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CID 15637380
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CID 117941832
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CID 96091
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CID 3104870
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CID 10528213
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CID 11794425
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Frequently Asked Questions

What is the IUPAC name of 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene?
The IUPAC name of 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene (CID 162469481) is 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene.
What is the SMILES notation for 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene?
The canonical SMILES for 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene is CC(C)Oc1cc2cccc(-c3cccc4cc(OC(C)C)c(OC(C)C)cc34)c2cc1OC(C)C.
What is the InChIKey of 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene?
The InChIKey is JIKLDTSMIUFZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O4/c1-19(2)33-29-15-23-11-9-13-25(27(23)17-31(29)35-21(5)6)26-14-10-12-24-16-30(34-20(3)4)32(18-28(24)26)36-22(7)8/h9-22H,1-8H3.
What are the key properties of 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene?
1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene has a molecular weight of 486.65 g/mol, XLogP of 8.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-di(propan-2-yloxy)naphthalen-1-yl]-6,7-di(propan-2-yloxy)naphthalene is sourced from PubChem (CID 162469481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).