5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene

C32H19Br3O — CID 59992640

IUPAC5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene
SMILESBrc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)C2c3ccc(Br)c4c(Br)ccc(c34)C21
InChIInChI=1S/C32H19Br3O/c33-23-16-14-20-26-21(15-17-24(34)27(23)26)29-28(20)31(18-8-3-1-4-9-18)22-12-7-13-25(35)30(22)32(29,36-31)19-10-5-2-6-11-19/h1-17,28-29H
InChIKeyHUHFJCNNYOYHBQ-UHFFFAOYSA-N
MW659.22 g/mol
LogP9.54
Rot. Bonds2

About 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene

5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene (PubChem CID 59992640) has the molecular formula C32H19Br3O and a molecular weight of 659.22 g/mol. Its IUPAC name is 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene.

Molecular Properties

Compound Name5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene
PubChem CID59992640
Molecular FormulaC32H19Br3O
Molecular Weight659.22 g/mol
Exact Mass655.90
IUPAC Name5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene
SMILESBrc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)C2c3ccc(Br)c4c(Br)ccc(c34)C21
InChIInChI=1S/C32H19Br3O/c33-23-16-14-20-26-21(15-17-24(34)27(23)26)29-28(20)31(18-8-3-1-4-9-18)22-12-7-13-25(35)30(22)32(29,36-31)19-10-5-2-6-11-19/h1-17,28-29H
InChIKeyHUHFJCNNYOYHBQ-UHFFFAOYSA-N
XLogP9.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.22
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene?
The IUPAC name of 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene (CID 59992640) is 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene.
What is the SMILES notation for 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene?
The canonical SMILES for 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene is Brc1cccc2c1C1(c3ccccc3)OC2(c2ccccc2)C2c3ccc(Br)c4c(Br)ccc(c34)C21.
What is the InChIKey of 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene?
The InChIKey is HUHFJCNNYOYHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Br3O/c33-23-16-14-20-26-21(15-17-24(34)27(23)26)29-28(20)31(18-8-3-1-4-9-18)22-12-7-13-25(35)30(22)32(29,36-31)19-10-5-2-6-11-19/h1-17,28-29H.
What are the key properties of 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene?
5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene has a molecular weight of 659.22 g/mol, XLogP of 9.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15,17-tribromo-3,10-diphenyl-21-oxahexacyclo[10.7.1.13,10.02,11.04,9.016,20]henicosa-1(19),4(9),5,7,12(20),13,15,17-octaene is sourced from PubChem (CID 59992640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).