8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene

C24H19Br — CID 174272666

IUPAC8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene
SMILESBrc1ccc2c3c(ccc2c1)C1=C(CC3)CC(c2ccccc2)C=C1
InChIInChI=1S/C24H19Br/c25-20-9-13-22-19(15-20)8-12-23-21-10-6-17(16-4-2-1-3-5-16)14-18(21)7-11-24(22)23/h1-6,8-10,12-13,15,17H,7,11,14H2
InChIKeyGSZPQBSLVJZDHU-UHFFFAOYSA-N
MW387.32 g/mol
LogP7.05
Rot. Bonds1

About 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene

8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174272666) has the molecular formula C24H19Br and a molecular weight of 387.32 g/mol. Its IUPAC name is 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene
PubChem CID174272666
Molecular FormulaC24H19Br
Molecular Weight387.32 g/mol
Exact Mass386.07
IUPAC Name8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene
SMILESBrc1ccc2c3c(ccc2c1)C1=C(CC3)CC(c2ccccc2)C=C1
InChIInChI=1S/C24H19Br/c25-20-9-13-22-19(15-20)8-12-23-21-10-6-17(16-4-2-1-3-5-16)14-18(21)7-11-24(22)23/h1-6,8-10,12-13,15,17H,7,11,14H2
InChIKeyGSZPQBSLVJZDHU-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.32
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene (CID 174272666) is 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene is Brc1ccc2c3c(ccc2c1)C1=C(CC3)CC(c2ccccc2)C=C1.
What is the InChIKey of 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is GSZPQBSLVJZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br/c25-20-9-13-22-19(15-20)8-12-23-21-10-6-17(16-4-2-1-3-5-16)14-18(21)7-11-24(22)23/h1-6,8-10,12-13,15,17H,7,11,14H2.
What are the key properties of 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene?
8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 387.32 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-phenyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174272666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).