5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole

C28H25BrN2O — CID 141473392

IUPAC5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole
SMILESBrc1ccc(C(=C2Cc3ccccc3C2)c2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C28H25BrN2O/c29-25-11-8-19(9-12-25)28(23-15-20-5-1-2-6-21(20)16-23)22-10-13-26-24(17-22)18-30-31(26)27-7-3-4-14-32-27/h1-2,5-6,8-13,17-18,27H,3-4,7,14-16H2
InChIKeyUCDYXJYWNVCXLS-UHFFFAOYSA-N
MW485.43 g/mol
LogP7.10
Rot. Bonds3

About 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole

5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole (PubChem CID 141473392) has the molecular formula C28H25BrN2O and a molecular weight of 485.43 g/mol. Its IUPAC name is 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole
PubChem CID141473392
Molecular FormulaC28H25BrN2O
Molecular Weight485.43 g/mol
Exact Mass484.12
IUPAC Name5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole
SMILESBrc1ccc(C(=C2Cc3ccccc3C2)c2ccc3c(cnn3C3CCCCO3)c2)cc1
InChIInChI=1S/C28H25BrN2O/c29-25-11-8-19(9-12-25)28(23-15-20-5-1-2-6-21(20)16-23)22-10-13-26-24(17-22)18-30-31(26)27-7-3-4-14-32-27/h1-2,5-6,8-13,17-18,27H,3-4,7,14-16H2
InChIKeyUCDYXJYWNVCXLS-UHFFFAOYSA-N
XLogP7.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole?
The IUPAC name of 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole (CID 141473392) is 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole is Brc1ccc(C(=C2Cc3ccccc3C2)c2ccc3c(cnn3C3CCCCO3)c2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole?
The InChIKey is UCDYXJYWNVCXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25BrN2O/c29-25-11-8-19(9-12-25)28(23-15-20-5-1-2-6-21(20)16-23)22-10-13-26-24(17-22)18-30-31(26)27-7-3-4-14-32-27/h1-2,5-6,8-13,17-18,27H,3-4,7,14-16H2.
What are the key properties of 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole?
5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole has a molecular weight of 485.43 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)-(1,3-dihydroinden-2-ylidene)methyl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 141473392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).