diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane

C27H23P — CID 10177686

IUPACdiphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C27H23P/c1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27/h1-18,27H,19-20H2
InChIKeyHPQBBCPOZIPONP-UHFFFAOYSA-N
MW378.46 g/mol
LogP6.01
Rot. Bonds3

About diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane

diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane (PubChem CID 10177686) has the molecular formula C27H23P and a molecular weight of 378.46 g/mol. Its IUPAC name is diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane.

Molecular Properties

Compound Namediphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane
PubChem CID10177686
Molecular FormulaC27H23P
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Namediphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane
SMILESc1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C27H23P/c1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27/h1-18,27H,19-20H2
InChIKeyHPQBBCPOZIPONP-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane?
The IUPAC name of diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane (CID 10177686) is diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane.
What is the SMILES notation for diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane?
The canonical SMILES for diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane is c1ccc(P(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane?
The InChIKey is HPQBBCPOZIPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23P/c1-3-13-23(14-4-1)28(24-15-5-2-6-16-24)27-25-17-9-7-11-21(25)19-20-22-12-8-10-18-26(22)27/h1-18,27H,19-20H2.
What are the key properties of diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane?
diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane has a molecular weight of 378.46 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)phosphane is sourced from PubChem (CID 10177686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).