4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene

C36H44N4P+ — CID 134286118

IUPAC4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene
SMILESCCc1c(CC)c2n3c1C=c1c(CC)c(CC)c4n1[P+]31n3c(c(CC)c(CC)c3C=c3c(CC)c(CC)c(n31)=C2)C=4
InChIInChI=1S/C36H44N4P/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)37(30)41(38(31)33,39(32)34)40(35)36/h17-20H,9-16H2,1-8H3/q+1
InChIKeyQFMAHDJEIGTVMT-UHFFFAOYSA-N
MW563.75 g/mol
LogP5.13
Rot. Bonds8

About 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene

4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene (PubChem CID 134286118) has the molecular formula C36H44N4P+ and a molecular weight of 563.75 g/mol. Its IUPAC name is 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene.

Molecular Properties

Compound Name4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene
PubChem CID134286118
Molecular FormulaC36H44N4P+
Molecular Weight563.75 g/mol
Exact Mass563.33
IUPAC Name4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene
SMILESCCc1c(CC)c2n3c1C=c1c(CC)c(CC)c4n1[P+]31n3c(c(CC)c(CC)c3C=c3c(CC)c(CC)c(n31)=C2)C=4
InChIInChI=1S/C36H44N4P/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)37(30)41(38(31)33,39(32)34)40(35)36/h17-20H,9-16H2,1-8H3/q+1
InChIKeyQFMAHDJEIGTVMT-UHFFFAOYSA-N
XLogP5.13
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.75
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene?
The IUPAC name of 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene (CID 134286118) is 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene.
What is the SMILES notation for 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene?
The canonical SMILES for 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene is CCc1c(CC)c2n3c1C=c1c(CC)c(CC)c4n1[P+]31n3c(c(CC)c(CC)c3C=c3c(CC)c(CC)c(n31)=C2)C=4.
What is the InChIKey of 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene?
The InChIKey is QFMAHDJEIGTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N4P/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)37(30)41(38(31)33,39(32)34)40(35)36/h17-20H,9-16H2,1-8H3/q+1.
What are the key properties of 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene?
4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene has a molecular weight of 563.75 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,9,10,14,15,19,20-octaethyl-2,22,23,25-tetraza-1-phosphoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3(24),4,6,8,10,12,14,16,18,20-decaene is sourced from PubChem (CID 134286118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).