12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C26H17P — CID 14940222

IUPAC12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-p2c3ccc4ccccc4c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C26H17P/c1-2-10-20(11-3-1)27-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)27/h1-17H
InChIKeySBTIZNBSOGFFKZ-UHFFFAOYSA-N
MW360.40 g/mol
LogP8.28
Rot. Bonds1

About 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 14940222) has the molecular formula C26H17P and a molecular weight of 360.40 g/mol. Its IUPAC name is 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID14940222
Molecular FormulaC26H17P
Molecular Weight360.40 g/mol
Exact Mass360.11
IUPAC Name12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-p2c3ccc4ccccc4c3c3c4ccccc4ccc32)cc1
InChIInChI=1S/C26H17P/c1-2-10-20(11-3-1)27-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)27/h1-17H
InChIKeySBTIZNBSOGFFKZ-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.40
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 14940222) is 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-p2c3ccc4ccccc4c3c3c4ccccc4ccc32)cc1.
What is the InChIKey of 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is SBTIZNBSOGFFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17P/c1-2-10-20(11-3-1)27-23-16-14-18-8-4-6-12-21(18)25(23)26-22-13-7-5-9-19(22)15-17-24(26)27/h1-17H.
What are the key properties of 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 360.40 g/mol, XLogP of 8.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-12-phosphapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 14940222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).