9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C32H18BrIO — CID 118145358

IUPAC9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESBrc1cc(-c2ccccc2)c2cccc3c4cccc5c(-c6ccccc6)cc(I)c(oc1c23)c54
InChIInChI=1S/C32H18BrIO/c33-27-17-25(19-9-3-1-4-10-19)23-15-7-13-21-22-14-8-16-24-26(20-11-5-2-6-12-20)18-28(34)32(30(22)24)35-31(27)29(21)23/h1-18H
InChIKeySXDSAVFPAKWFLH-UHFFFAOYSA-N
MW625.30 g/mol
LogP10.59
Rot. Bonds2

About 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 118145358) has the molecular formula C32H18BrIO and a molecular weight of 625.30 g/mol. Its IUPAC name is 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

Compound Name9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
PubChem CID118145358
Molecular FormulaC32H18BrIO
Molecular Weight625.30 g/mol
Exact Mass623.96
IUPAC Name9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESBrc1cc(-c2ccccc2)c2cccc3c4cccc5c(-c6ccccc6)cc(I)c(oc1c23)c54
InChIInChI=1S/C32H18BrIO/c33-27-17-25(19-9-3-1-4-10-19)23-15-7-13-21-22-14-8-16-24-26(20-11-5-2-6-12-20)18-28(34)32(30(22)24)35-31(27)29(21)23/h1-18H
InChIKeySXDSAVFPAKWFLH-UHFFFAOYSA-N
XLogP10.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.30
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene with MolForge

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Related Compounds

7,9,13-triphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
CID 118145411
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6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
3-bromo-1,6-diphenylpyrene
CID 86668275
10,12,23,32-tetraiodo-3,16-diphenylnonacyclo[22.6.2.02,7.08,29.011,28.014,27.015,20.021,26.025,30]dotriaconta-1(30),2(7),3,5,8,10,12,14(27),15(20),16,18,21,23,25,28,31-hexadecaene
CID 164940197
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
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CID 176775460

Frequently Asked Questions

What is the IUPAC name of 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The IUPAC name of 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 118145358) is 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.
What is the SMILES notation for 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The canonical SMILES for 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is Brc1cc(-c2ccccc2)c2cccc3c4cccc5c(-c6ccccc6)cc(I)c(oc1c23)c54.
What is the InChIKey of 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The InChIKey is SXDSAVFPAKWFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18BrIO/c33-27-17-25(19-9-3-1-4-10-19)23-15-7-13-21-22-14-8-16-24-26(20-11-5-2-6-12-20)18-28(34)32(30(22)24)35-31(27)29(21)23/h1-18H.
What are the key properties of 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene has a molecular weight of 625.30 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 118145358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).