15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene

C20H11Br — CID 87763316

IUPAC15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
SMILESBrc1cccc2c3c4c(cccc4cc12)-c1ccccc1-3
InChIInChI=1S/C20H11Br/c21-18-10-4-9-16-17(18)11-12-5-3-8-14-13-6-1-2-7-15(13)20(16)19(12)14/h1-11H
InChIKeyUGRCCOKGTJOBRU-UHFFFAOYSA-N
MW331.21 g/mol
LogP6.40
Rot. Bonds

About 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene

15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene (PubChem CID 87763316) has the molecular formula C20H11Br and a molecular weight of 331.21 g/mol. Its IUPAC name is 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene.

Molecular Properties

Compound Name15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
PubChem CID87763316
Molecular FormulaC20H11Br
Molecular Weight331.21 g/mol
Exact Mass330.00
IUPAC Name15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
SMILESBrc1cccc2c3c4c(cccc4cc12)-c1ccccc1-3
InChIInChI=1S/C20H11Br/c21-18-10-4-9-16-17(18)11-12-5-3-8-14-13-6-1-2-7-15(13)20(16)19(12)14/h1-11H
InChIKeyUGRCCOKGTJOBRU-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.21
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The IUPAC name of 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene (CID 87763316) is 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene.
What is the SMILES notation for 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The canonical SMILES for 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene is Brc1cccc2c3c4c(cccc4cc12)-c1ccccc1-3.
What is the InChIKey of 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
The InChIKey is UGRCCOKGTJOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Br/c21-18-10-4-9-16-17(18)11-12-5-3-8-14-13-6-1-2-7-15(13)20(16)19(12)14/h1-11H.
What are the key properties of 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene?
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene has a molecular weight of 331.21 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene is sourced from PubChem (CID 87763316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).