2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene

C26H21Br — CID 141144396

IUPAC2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene
SMILESBrC1C=CC2=C(C1)C(c1ccccc1)c1ccccc1C2c1ccccc1
InChIInChI=1S/C26H21Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-16,20,25-26H,17H2
InChIKeyHIQWNKRDGBTJJI-UHFFFAOYSA-N
MW413.36 g/mol
LogP6.98
Rot. Bonds2

About 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene

2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene (PubChem CID 141144396) has the molecular formula C26H21Br and a molecular weight of 413.36 g/mol. Its IUPAC name is 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene.

Molecular Properties

Compound Name2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene
PubChem CID141144396
Molecular FormulaC26H21Br
Molecular Weight413.36 g/mol
Exact Mass412.08
IUPAC Name2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene
SMILESBrC1C=CC2=C(C1)C(c1ccccc1)c1ccccc1C2c1ccccc1
InChIInChI=1S/C26H21Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-16,20,25-26H,17H2
InChIKeyHIQWNKRDGBTJJI-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.36
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene?
The IUPAC name of 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene (CID 141144396) is 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene.
What is the SMILES notation for 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene?
The canonical SMILES for 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene is BrC1C=CC2=C(C1)C(c1ccccc1)c1ccccc1C2c1ccccc1.
What is the InChIKey of 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene?
The InChIKey is HIQWNKRDGBTJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-16,20,25-26H,17H2.
What are the key properties of 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene?
2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene has a molecular weight of 413.36 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-diphenyl-1,2,9,10-tetrahydroanthracene is sourced from PubChem (CID 141144396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).