5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane

C28H27BrO — CID 129228216

IUPAC5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane
SMILESCC1(C)CC(c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)OC1(C)C
InChIInChI=1S/C28H27BrO/c1-27(2)17-26(30-28(27,3)4)20-11-13-22-18(15-20)7-5-9-24(22)25-10-6-8-19-16-21(29)12-14-23(19)25/h5-16,26H,17H2,1-4H3
InChIKeyZVSJNANWCZDMSD-UHFFFAOYSA-N
MW459.43 g/mol
LogP8.69
Rot. Bonds2

About 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane

5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane (PubChem CID 129228216) has the molecular formula C28H27BrO and a molecular weight of 459.43 g/mol. Its IUPAC name is 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane.

Molecular Properties

Compound Name5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane
PubChem CID129228216
Molecular FormulaC28H27BrO
Molecular Weight459.43 g/mol
Exact Mass458.12
IUPAC Name5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane
SMILESCC1(C)CC(c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)OC1(C)C
InChIInChI=1S/C28H27BrO/c1-27(2)17-26(30-28(27,3)4)20-11-13-22-18(15-20)7-5-9-24(22)25-10-6-8-19-16-21(29)12-14-23(19)25/h5-16,26H,17H2,1-4H3
InChIKeyZVSJNANWCZDMSD-UHFFFAOYSA-N
XLogP8.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 89989807
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CID 122602713
2-Bromo-6-[[(6-bromonaphthalen-2-yl)-[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-[4-(3,5-difluorophenyl)cyclohexyl]methyl]naphthalene
CID 141361731
2-Bromo-7-(trifluoromethyl)naphthalene;10-bromo-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 157581666
1-Bromo-8-(2-fluoro-3-phenylmethoxypropyl)naphthalene
CID 177327080
(4S,4aR,10bR)-4-(4-bromophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isochromene
CID 54753883
2-Bromo-1-(1-prop-2-enoxybut-3-enyl)naphthalene
CID 101512800
2-(2-bromonaphthalen-1-yl)-3,6-dihydro-2H-pyran
CID 101512801
2-(1-bromonaphthalen-2-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512804
2-Bromo-1-[1-(2-methylprop-2-enoxy)but-3-enyl]naphthalene
CID 101512805
2-(2-bromonaphthalen-1-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512806
2-(1-bromonaphthalen-2-yl)-4-methyl-3,6-dihydro-2H-pyran
CID 101512811

Frequently Asked Questions

What is the IUPAC name of 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane?
The IUPAC name of 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane (CID 129228216) is 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane.
What is the SMILES notation for 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane?
The canonical SMILES for 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane is CC1(C)CC(c2ccc3c(-c4cccc5cc(Br)ccc45)cccc3c2)OC1(C)C.
What is the InChIKey of 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane?
The InChIKey is ZVSJNANWCZDMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27BrO/c1-27(2)17-26(30-28(27,3)4)20-11-13-22-18(15-20)7-5-9-24(22)25-10-6-8-19-16-21(29)12-14-23(19)25/h5-16,26H,17H2,1-4H3.
What are the key properties of 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane?
5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane has a molecular weight of 459.43 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(6-bromonaphthalen-1-yl)naphthalen-2-yl]-2,2,3,3-tetramethyloxolane is sourced from PubChem (CID 129228216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).