6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene

C33H25BrO3 — CID 59188697

IUPAC6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene
SMILESCOc1cc2c(-c3ccc(Br)cc3)cc3c(c2cc1OC)C=CC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C33H25BrO3/c1-35-31-20-28-26-17-18-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)37-30(26)19-27(29(28)21-32(31)36-2)22-13-15-25(34)16-14-22/h3-21H,1-2H3
InChIKeyRWFXXIYYLFGQKE-UHFFFAOYSA-N
MW549.46 g/mol
LogP8.64
Rot. Bonds5

About 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene

6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene (PubChem CID 59188697) has the molecular formula C33H25BrO3 and a molecular weight of 549.46 g/mol. Its IUPAC name is 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene.

Molecular Properties

Compound Name6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene
PubChem CID59188697
Molecular FormulaC33H25BrO3
Molecular Weight549.46 g/mol
Exact Mass548.10
IUPAC Name6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene
SMILESCOc1cc2c(-c3ccc(Br)cc3)cc3c(c2cc1OC)C=CC(c1ccccc1)(c1ccccc1)O3
InChIInChI=1S/C33H25BrO3/c1-35-31-20-28-26-17-18-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)37-30(26)19-27(29(28)21-32(31)36-2)22-13-15-25(34)16-14-22/h3-21H,1-2H3
InChIKeyRWFXXIYYLFGQKE-UHFFFAOYSA-N
XLogP8.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.46
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene?
The IUPAC name of 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene (CID 59188697) is 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene.
What is the SMILES notation for 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene?
The canonical SMILES for 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene is COc1cc2c(-c3ccc(Br)cc3)cc3c(c2cc1OC)C=CC(c1ccccc1)(c1ccccc1)O3.
What is the InChIKey of 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene?
The InChIKey is RWFXXIYYLFGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25BrO3/c1-35-31-20-28-26-17-18-33(23-9-5-3-6-10-23,24-11-7-4-8-12-24)37-30(26)19-27(29(28)21-32(31)36-2)22-13-15-25(34)16-14-22/h3-21H,1-2H3.
What are the key properties of 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene?
6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene has a molecular weight of 549.46 g/mol, XLogP of 8.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-8,9-dimethoxy-3,3-diphenylbenzo[f]chromene is sourced from PubChem (CID 59188697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).