20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran

C48H28Br2O2 — CID 160654162

IUPAC20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran
SMILESBrc1ccc2c(c1)oc1cc(-c3ccccc3-c3ccccc3)ccc12.Brc1ccc2c(c1)oc1cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C24H13BrO.C24H15BrO/c25-14-9-10-19-22-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21(20)13-24(22)26-23(19)11-14;25-18-11-13-22-21-12-10-17(14-23(21)26-24(22)15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H;1-15H
InChIKeyRKVAYPXTEGUEHM-UHFFFAOYSA-N
MW796.56 g/mol
LogP15.49
Rot. Bonds2

About 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran

20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran (PubChem CID 160654162) has the molecular formula C48H28Br2O2 and a molecular weight of 796.56 g/mol. Its IUPAC name is 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran
PubChem CID160654162
Molecular FormulaC48H28Br2O2
Molecular Weight796.56 g/mol
Exact Mass794.05
IUPAC Name20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran
SMILESBrc1ccc2c(c1)oc1cc(-c3ccccc3-c3ccccc3)ccc12.Brc1ccc2c(c1)oc1cc3c4ccccc4c4ccccc4c3cc12
InChIInChI=1S/C24H13BrO.C24H15BrO/c25-14-9-10-19-22-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21(20)13-24(22)26-23(19)11-14;25-18-11-13-22-21-12-10-17(14-23(21)26-24(22)15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H;1-15H
InChIKeyRKVAYPXTEGUEHM-UHFFFAOYSA-N
XLogP15.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.56
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;2-bromo-8-(2-phenylphenyl)dibenzofuran;dichloromethane;trichloroiron
CID 162102764
7-(4-bromophenyl)-10-phenylnaphtho[2,3-b][1]benzofuran
CID 167303576
2,4-diphenyl-6-[7-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 154624594
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
CID 121443842
2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825
2-naphthalen-2-yl-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)-6-phenyl-1,3,5-triazine
CID 158202082
3-[4-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 155454054
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112

Frequently Asked Questions

What is the IUPAC name of 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran?
The IUPAC name of 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran (CID 160654162) is 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran.
What is the SMILES notation for 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran?
The canonical SMILES for 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran is Brc1ccc2c(c1)oc1cc(-c3ccccc3-c3ccccc3)ccc12.Brc1ccc2c(c1)oc1cc3c4ccccc4c4ccccc4c3cc12.
What is the InChIKey of 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran?
The InChIKey is RKVAYPXTEGUEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13BrO.C24H15BrO/c25-14-9-10-19-22-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21(20)13-24(22)26-23(19)11-14;25-18-11-13-22-21-12-10-17(14-23(21)26-24(22)15-18)20-9-5-4-8-19(20)16-6-2-1-3-7-16/h1-13H;1-15H.
What are the key properties of 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran?
20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran has a molecular weight of 796.56 g/mol, XLogP of 15.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20-bromo-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-bromo-7-(2-phenylphenyl)dibenzofuran is sourced from PubChem (CID 160654162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).