18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

C18H9BrO2 — CID 164960874

IUPAC18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESBrc1cccc2c1oc1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H9BrO2/c19-13-6-3-5-10-11-8-9-15-16(18(11)21-17(10)13)12-4-1-2-7-14(12)20-15/h1-9H
InChIKeyDWJIVRPFPLCXSX-UHFFFAOYSA-N
MW337.17 g/mol
LogP6.25
Rot. Bonds

About 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene

18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (PubChem CID 164960874) has the molecular formula C18H9BrO2 and a molecular weight of 337.17 g/mol. Its IUPAC name is 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
PubChem CID164960874
Molecular FormulaC18H9BrO2
Molecular Weight337.17 g/mol
Exact Mass335.98
IUPAC Name18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
SMILESBrc1cccc2c1oc1c2ccc2oc3ccccc3c21
InChIInChI=1S/C18H9BrO2/c19-13-6-3-5-10-11-8-9-15-16(18(11)21-17(10)13)12-4-1-2-7-14(12)20-15/h1-9H
InChIKeyDWJIVRPFPLCXSX-UHFFFAOYSA-N
XLogP6.25
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.17
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene with MolForge

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Related Compounds

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6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90125906
1,7-dibromodibenzofuran
CID 6427988
5-(10-bromoanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 170205248
4-bromodibenzofuran;4-phenylaniline
CID 122673561
4-bromo-6-fluoranthen-3-yldibenzofuran
CID 129100187
5-chloro-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 135171594
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
N-dibenzofuran-3-yl-N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
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Frequently Asked Questions

What is the IUPAC name of 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The IUPAC name of 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene (CID 164960874) is 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene.
What is the SMILES notation for 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The canonical SMILES for 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is Brc1cccc2c1oc1c2ccc2oc3ccccc3c21.
What is the InChIKey of 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
The InChIKey is DWJIVRPFPLCXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrO2/c19-13-6-3-5-10-11-8-9-15-16(18(11)21-17(10)13)12-4-1-2-7-14(12)20-15/h1-9H.
What are the key properties of 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene?
18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene has a molecular weight of 337.17 g/mol, XLogP of 6.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-bromo-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene is sourced from PubChem (CID 164960874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).