8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene

C22H20Br2 — CID 70844646

IUPAC8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene
SMILESCc1cc(Br)c2c(c1-c1c(C)cc(Br)c3c1=CCCC=3)=CCCC=2
InChIInChI=1S/C22H20Br2/c1-13-11-19(23)15-7-3-5-9-17(15)21(13)22-14(2)12-20(24)16-8-4-6-10-18(16)22/h7-12H,3-6H2,1-2H3
InChIKeyWCUPDRCAIHMASD-UHFFFAOYSA-N
MW444.21 g/mol
LogP4.21
Rot. Bonds1

About 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene

8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene (PubChem CID 70844646) has the molecular formula C22H20Br2 and a molecular weight of 444.21 g/mol. Its IUPAC name is 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene
PubChem CID70844646
Molecular FormulaC22H20Br2
Molecular Weight444.21 g/mol
Exact Mass441.99
IUPAC Name8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene
SMILESCc1cc(Br)c2c(c1-c1c(C)cc(Br)c3c1=CCCC=3)=CCCC=2
InChIInChI=1S/C22H20Br2/c1-13-11-19(23)15-7-3-5-9-17(15)21(13)22-14(2)12-20(24)16-8-4-6-10-18(16)22/h7-12H,3-6H2,1-2H3
InChIKeyWCUPDRCAIHMASD-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.21
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene?
The IUPAC name of 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene (CID 70844646) is 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene.
What is the SMILES notation for 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene?
The canonical SMILES for 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene is Cc1cc(Br)c2c(c1-c1c(C)cc(Br)c3c1=CCCC=3)=CCCC=2.
What is the InChIKey of 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene?
The InChIKey is WCUPDRCAIHMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2/c1-13-11-19(23)15-7-3-5-9-17(15)21(13)22-14(2)12-20(24)16-8-4-6-10-18(16)22/h7-12H,3-6H2,1-2H3.
What are the key properties of 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene?
8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene has a molecular weight of 444.21 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-(4-bromo-2-methyl-6,7-dihydronaphthalen-1-yl)-6-methyl-2,3-dihydronaphthalene is sourced from PubChem (CID 70844646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).