1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene

C31H25Br — CID 67039723

IUPAC1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
SMILESCC1=Cc2c(Br)cccc2C1CC1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C31H25Br/c1-19-16-29-24(23-11-5-9-21-8-3-4-10-22(21)23)12-6-13-25(29)27(19)18-28-20(2)17-30-26(28)14-7-15-31(30)32/h3-17,27-28H,18H2,1-2H3
InChIKeyMWJOCAIROBDEQN-UHFFFAOYSA-N
MW477.45 g/mol
LogP9.36
Rot. Bonds3

About 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene

1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene (PubChem CID 67039723) has the molecular formula C31H25Br and a molecular weight of 477.45 g/mol. Its IUPAC name is 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene.

Molecular Properties

Compound Name1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
PubChem CID67039723
Molecular FormulaC31H25Br
Molecular Weight477.45 g/mol
Exact Mass476.11
IUPAC Name1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene
SMILESCC1=Cc2c(Br)cccc2C1CC1C(C)=Cc2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C31H25Br/c1-19-16-29-24(23-11-5-9-21-8-3-4-10-22(21)23)12-6-13-25(29)27(19)18-28-20(2)17-30-26(28)14-7-15-31(30)32/h3-17,27-28H,18H2,1-2H3
InChIKeyMWJOCAIROBDEQN-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.45
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene?
The IUPAC name of 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene (CID 67039723) is 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene.
What is the SMILES notation for 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene?
The canonical SMILES for 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene is CC1=Cc2c(Br)cccc2C1CC1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene?
The InChIKey is MWJOCAIROBDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Br/c1-19-16-29-24(23-11-5-9-21-8-3-4-10-22(21)23)12-6-13-25(29)27(19)18-28-20(2)17-30-26(28)14-7-15-31(30)32/h3-17,27-28H,18H2,1-2H3.
What are the key properties of 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene?
1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene has a molecular weight of 477.45 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-2-methyl-1H-inden-4-yl]naphthalene is sourced from PubChem (CID 67039723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).