2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane

C20H24Br2 — CID 145444709

IUPAC2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane
SMILESC=C1c2ccc(Br)cc2C(C)c2cc(Br)ccc21.CC.CC
InChIInChI=1S/C16H12Br2.2C2H6/c1-9-13-5-3-11(17)7-15(13)10(2)16-8-12(18)4-6-14(9)16;2*1-2/h3-8,10H,1H2,2H3;2*1-2H3
InChIKeyDLYVKCXMQURQOJ-UHFFFAOYSA-N
MW424.22 g/mol
LogP7.79
Rot. Bonds

About 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane

2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane (PubChem CID 145444709) has the molecular formula C20H24Br2 and a molecular weight of 424.22 g/mol. Its IUPAC name is 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane.

Molecular Properties

Compound Name2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane
PubChem CID145444709
Molecular FormulaC20H24Br2
Molecular Weight424.22 g/mol
Exact Mass422.02
IUPAC Name2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane
SMILESC=C1c2ccc(Br)cc2C(C)c2cc(Br)ccc21.CC.CC
InChIInChI=1S/C16H12Br2.2C2H6/c1-9-13-5-3-11(17)7-15(13)10(2)16-8-12(18)4-6-14(9)16;2*1-2/h3-8,10H,1H2,2H3;2*1-2H3
InChIKeyDLYVKCXMQURQOJ-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.22
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(8R,10R)-5,13-dibromo-8,10-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 163273815
(3R)-5-bromo-3-methyl-2,3-dihydroisoindol-1-one
CID 146160555
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
2-(7-bromo-9-methyl-9H-fluorene-2-carbonyl)benzoic acid;ethane
CID 142970493
2-bromo-9-methylidenefluorene
CID 89181639
2-bromo-9-methyl-9H-xanthene
CID 102170918
2-bromo-11-methylidenebenzo[b]fluorene
CID 142293502
2,7-dibromo-9-prop-2-enyl-9H-fluorene
CID 141405719
2-bromo-10-methylideneanthracen-9-one
CID 89197821
6,15-dibromo-9,18-dimethyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene
CID 58224390
6-bromo-2-methyl-1-benzothiophen-3-one
CID 83912769
2-(4-bromobutyl)-4,5,6,7-tetrahydroisoindole-1,3-dione;2,7-dibromo-9-methyl-9H-fluorene;2-[4-(2,7-dibromo-9-methylfluoren-9-yl)butyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 167624002

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane?
The IUPAC name of 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane (CID 145444709) is 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane.
What is the SMILES notation for 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane?
The canonical SMILES for 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane is C=C1c2ccc(Br)cc2C(C)c2cc(Br)ccc21.CC.CC.
What is the InChIKey of 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane?
The InChIKey is DLYVKCXMQURQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2.2C2H6/c1-9-13-5-3-11(17)7-15(13)10(2)16-8-12(18)4-6-14(9)16;2*1-2/h3-8,10H,1H2,2H3;2*1-2H3.
What are the key properties of 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane?
2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane has a molecular weight of 424.22 g/mol, XLogP of 7.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-methyl-10-methylidene-9H-anthracene;ethane is sourced from PubChem (CID 145444709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).