7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene

C24H19Br — CID 16658385

IUPAC7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
SMILESBrc1cccc2c1ccc1c3ccc(c12)CCc1ccc(cc1)CC3
InChIInChI=1S/C24H19Br/c25-23-3-1-2-22-21(23)15-14-20-18-10-8-16-4-6-17(7-5-16)9-11-19(13-12-18)24(20)22/h1-7,12-15H,8-11H2
InChIKeyAUCLVGNRNYODID-UHFFFAOYSA-N
MW387.32 g/mol
LogP6.64
Rot. Bonds

About 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene

7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene (PubChem CID 16658385) has the molecular formula C24H19Br and a molecular weight of 387.32 g/mol. Its IUPAC name is 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene.

Molecular Properties

Compound Name7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
PubChem CID16658385
Molecular FormulaC24H19Br
Molecular Weight387.32 g/mol
Exact Mass386.07
IUPAC Name7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene
SMILESBrc1cccc2c1ccc1c3ccc(c12)CCc1ccc(cc1)CC3
InChIInChI=1S/C24H19Br/c25-23-3-1-2-22-21(23)15-14-20-18-10-8-16-4-6-17(7-5-16)9-11-19(13-12-18)24(20)22/h1-7,12-15H,8-11H2
InChIKeyAUCLVGNRNYODID-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.32
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The IUPAC name of 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene (CID 16658385) is 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene.
What is the SMILES notation for 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The canonical SMILES for 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene is Brc1cccc2c1ccc1c3ccc(c12)CCc1ccc(cc1)CC3.
What is the InChIKey of 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
The InChIKey is AUCLVGNRNYODID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br/c25-23-3-1-2-22-21(23)15-14-20-18-10-8-16-4-6-17(7-5-16)9-11-19(13-12-18)24(20)22/h1-7,12-15H,8-11H2.
What are the key properties of 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene?
7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene has a molecular weight of 387.32 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromopentacyclo[10.8.2.215,18.02,11.03,8]tetracosa-1,3(8),4,6,9,11,15,17,21,23-decaene is sourced from PubChem (CID 16658385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).