6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

C25H29Br — CID 59957844

IUPAC6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1/C=C1/CCc3cc(Br)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H29Br/c1-16-12-22-23(25(4,5)11-10-24(22,2)3)15-19(16)13-17-6-7-18-14-20(26)8-9-21(17)18/h8-9,12-15H,6-7,10-11H2,1-5H3/b17-13-
InChIKeyKQQRQDPLHSNRPA-LGMDPLHJSA-N
MW409.41 g/mol
LogP7.59
Rot. Bonds1

About 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (PubChem CID 59957844) has the molecular formula C25H29Br and a molecular weight of 409.41 g/mol. Its IUPAC name is 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
PubChem CID59957844
Molecular FormulaC25H29Br
Molecular Weight409.41 g/mol
Exact Mass408.15
IUPAC Name6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene
SMILESCc1cc2c(cc1/C=C1/CCc3cc(Br)ccc31)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H29Br/c1-16-12-22-23(25(4,5)11-10-24(22,2)3)15-19(16)13-17-6-7-18-14-20(26)8-9-21(17)18/h8-9,12-15H,6-7,10-11H2,1-5H3/b17-13-
InChIKeyKQQRQDPLHSNRPA-LGMDPLHJSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene (CID 59957844) is 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is Cc1cc2c(cc1/C=C1/CCc3cc(Br)ccc31)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
The InChIKey is KQQRQDPLHSNRPA-LGMDPLHJSA-N. The full InChI is InChI=1S/C25H29Br/c1-16-12-22-23(25(4,5)11-10-24(22,2)3)15-19(16)13-17-6-7-18-14-20(26)8-9-21(17)18/h8-9,12-15H,6-7,10-11H2,1-5H3/b17-13-.
What are the key properties of 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene?
6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene has a molecular weight of 409.41 g/mol, XLogP of 7.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-(5-bromo-2,3-dihydroinden-1-ylidene)methyl]-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 59957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).