[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane

C28H42P2 — CID 11585762

IUPAC[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc2ccc1CCc1ccc(c(P(C(C)C)C(C)C)c1)CC2)C(C)C
InChIInChI=1S/C28H42P2/c1-19(2)29(20(3)4)27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)30(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3
InChIKeyWQTSWEBUGHHHIN-UHFFFAOYSA-N
MW440.59 g/mol
LogP7.42
Rot. Bonds6

About [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane

[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane (PubChem CID 11585762) has the molecular formula C28H42P2 and a molecular weight of 440.59 g/mol. Its IUPAC name is [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
PubChem CID11585762
Molecular FormulaC28H42P2
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
SMILESCC(C)P(c1cc2ccc1CCc1ccc(c(P(C(C)C)C(C)C)c1)CC2)C(C)C
InChIInChI=1S/C28H42P2/c1-19(2)29(20(3)4)27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)30(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3
InChIKeyWQTSWEBUGHHHIN-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 57.42
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 [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane?
The IUPAC name of [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane (CID 11585762) is [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane is CC(C)P(c1cc2ccc1CCc1ccc(c(P(C(C)C)C(C)C)c1)CC2)C(C)C.
What is the InChIKey of [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane?
The InChIKey is WQTSWEBUGHHHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42P2/c1-19(2)29(20(3)4)27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)30(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3.
What are the key properties of [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane?
[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane has a molecular weight of 440.59 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 11585762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).