12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide

C44H34NO3P — CID 134317451

About 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide

12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide (PubChem CID 134317451) has the molecular formula C44H34NO3P and a molecular weight of 655.73 g/mol. Its IUPAC name is 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide.

Molecular Properties

• Compound Name: 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide
• PubChem CID: 134317451
• Molecular Formula: C44H34NO3P
• Molecular Weight: 655.73 g/mol
• Exact Mass: 655.23
• IUPAC Name: 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide
• SMILES: Cc1ccc(N2c3cc4c(c5c3P3(=O)c6c(cc(C)cc6Oc6c7c(cc2c63)-c2ccccc2C7(C)C)O5)C(C)(C)c2ccccc2-4)cc1
• InChI: InChI=1S/C44H34NO3P/c1-23-15-17-25(18-16-23)45-32-21-28-26-11-7-9-13-30(26)43(3,4)36(28)38-40(32)49(46)41-33(45)22-29-27-12-8-10-14-31(27)44(5,6)37(29)39(41)48-35-20-24(2)19-34(47-38)42(35)49/h7-22H,1-6H3
• InChIKey: YDOVHVMUNDJWEQ-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.73
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide?

The IUPAC name of 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide (CID 134317451) is 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide.

What is the SMILES notation for 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide?

The canonical SMILES for 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide is Cc1ccc(N2c3cc4c(c5c3P3(=O)c6c(cc(C)cc6Oc6c7c(cc2c63)-c2ccccc2C7(C)C)O5)C(C)(C)c2ccccc2-4)cc1.

What is the InChIKey of 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide?

The InChIKey is YDOVHVMUNDJWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34NO3P/c1-23-15-17-25(18-16-23)45-32-21-28-26-11-7-9-13-30(26)43(3,4)36(28)38-40(32)49(46)41-33(45)22-29-27-12-8-10-14-31(27)44(5,6)37(29)39(41)48-35-20-24(2)19-34(47-38)42(35)49/h7-22H,1-6H3.

What are the key properties of 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide?

12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide has a molecular weight of 655.73 g/mol, XLogP of 10.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12,18,24,24-pentamethyl-36-(4-methylphenyl)-15,21-dioxa-36-aza-1λ5-phosphadecacyclo[18.14.1.13,33.02,14.05,13.06,11.016,35.022,34.023,31.025,30]hexatriaconta-2,4,6,8,10,13,16,18,20(35),22,25,27,29,31,33-pentadecaene 1-oxide is sourced from PubChem (CID 134317451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).