2-[bis(4-bromophenyl)methylidene]adamantane

C23H22Br2 — CID 11798106

IUPAC2-[bis(4-bromophenyl)methylidene]adamantane
SMILESBrc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H22Br2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19H,9-13H2
InChIKeyVWAPKEXNGBBOOV-UHFFFAOYSA-N
MW458.24 g/mol
LogP7.47
Rot. Bonds2

About 2-[bis(4-bromophenyl)methylidene]adamantane

2-[bis(4-bromophenyl)methylidene]adamantane (PubChem CID 11798106) has the molecular formula C23H22Br2 and a molecular weight of 458.24 g/mol. Its IUPAC name is 2-[bis(4-bromophenyl)methylidene]adamantane.

Molecular Properties

Compound Name2-[bis(4-bromophenyl)methylidene]adamantane
PubChem CID11798106
Molecular FormulaC23H22Br2
Molecular Weight458.24 g/mol
Exact Mass456.01
IUPAC Name2-[bis(4-bromophenyl)methylidene]adamantane
SMILESBrc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H22Br2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19H,9-13H2
InChIKeyVWAPKEXNGBBOOV-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.24
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-bromophenyl)methylidene]adamantane?
The IUPAC name of 2-[bis(4-bromophenyl)methylidene]adamantane (CID 11798106) is 2-[bis(4-bromophenyl)methylidene]adamantane.
What is the SMILES notation for 2-[bis(4-bromophenyl)methylidene]adamantane?
The canonical SMILES for 2-[bis(4-bromophenyl)methylidene]adamantane is Brc1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[bis(4-bromophenyl)methylidene]adamantane?
The InChIKey is VWAPKEXNGBBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2/c24-20-5-1-16(2-6-20)22(17-3-7-21(25)8-4-17)23-18-10-14-9-15(12-18)13-19(23)11-14/h1-8,14-15,18-19H,9-13H2.
What are the key properties of 2-[bis(4-bromophenyl)methylidene]adamantane?
2-[bis(4-bromophenyl)methylidene]adamantane has a molecular weight of 458.24 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-bromophenyl)methylidene]adamantane is sourced from PubChem (CID 11798106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).