[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane

C42H81N10P3 — CID 102163157

IUPAC[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)=NC1=NC2=NC(N=P(CCCC)(CCCC)CCCC)=NC3=NC(N=P(CCCC)(CCCC)CCCC)=NC(=N1)N23
InChIInChI=1S/C42H81N10P3/c1-10-19-28-53(29-20-11-2,30-21-12-3)49-37-43-40-45-38(50-54(31-22-13-4,32-23-14-5)33-24-15-6)47-42-48-39(46-41(44-37)52(40)42)51-55(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3
InChIKeyBEEQGJUOJPXTPU-UHFFFAOYSA-N
MW819.10 g/mol
LogP14.27
Rot. Bonds27

About [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane

[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane (PubChem CID 102163157) has the molecular formula C42H81N10P3 and a molecular weight of 819.10 g/mol. Its IUPAC name is [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane.

Molecular Properties

Compound Name[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane
PubChem CID102163157
Molecular FormulaC42H81N10P3
Molecular Weight819.10 g/mol
Exact Mass818.59
IUPAC Name[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane
SMILESCCCCP(CCCC)(CCCC)=NC1=NC2=NC(N=P(CCCC)(CCCC)CCCC)=NC3=NC(N=P(CCCC)(CCCC)CCCC)=NC(=N1)N23
InChIInChI=1S/C42H81N10P3/c1-10-19-28-53(29-20-11-2,30-21-12-3)49-37-43-40-45-38(50-54(31-22-13-4,32-23-14-5)33-24-15-6)47-42-48-39(46-41(44-37)52(40)42)51-55(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3
InChIKeyBEEQGJUOJPXTPU-UHFFFAOYSA-N
XLogP14.27
TPSA114.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds27
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane with MolForge

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Related Compounds

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alumane;dodecane
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alumane;hexadecane
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CID 172720905
CID 5494236
CID 5494236

Frequently Asked Questions

What is the IUPAC name of [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane?
The IUPAC name of [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane (CID 102163157) is [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane.
What is the SMILES notation for [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane?
The canonical SMILES for [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane is CCCCP(CCCC)(CCCC)=NC1=NC2=NC(N=P(CCCC)(CCCC)CCCC)=NC3=NC(N=P(CCCC)(CCCC)CCCC)=NC(=N1)N23.
What is the InChIKey of [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane?
The InChIKey is BEEQGJUOJPXTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H81N10P3/c1-10-19-28-53(29-20-11-2,30-21-12-3)49-37-43-40-45-38(50-54(31-22-13-4,32-23-14-5)33-24-15-6)47-42-48-39(46-41(44-37)52(40)42)51-55(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3.
What are the key properties of [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane?
[7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane has a molecular weight of 819.10 g/mol, XLogP of 14.27, 27 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [7,11-bis[(tributyl-λ5-phosphanylidene)amino]-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaen-3-yl]imino-tributyl-λ5-phosphane is sourced from PubChem (CID 102163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).