20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide

C37H66NOP — CID 130347156

IUPAC20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide
SMILESO=P12C3CCCCCCCC(C3)C3CCCCCCC(C3)N1C1CCCCCCCC1C1CCCCCCC2C1
InChIInChI=1S/C37H66NOP/c39-40-34-23-15-4-1-3-11-20-31(28-34)30-19-12-7-9-14-22-33(27-30)38(40)37-26-18-6-2-5-17-25-36(37)32-21-13-8-10-16-24-35(40)29-32/h30-37H,1-29H2
InChIKeyZMDZYCDOLYHAAZ-UHFFFAOYSA-N
MW571.92 g/mol
LogP11.90
Rot. Bonds

About 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide

20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide (PubChem CID 130347156) has the molecular formula C37H66NOP and a molecular weight of 571.92 g/mol. Its IUPAC name is 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide.

Molecular Properties

Compound Name20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide
PubChem CID130347156
Molecular FormulaC37H66NOP
Molecular Weight571.92 g/mol
Exact Mass571.49
IUPAC Name20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide
SMILESO=P12C3CCCCCCCC(C3)C3CCCCCCC(C3)N1C1CCCCCCCC1C1CCCCCCC2C1
InChIInChI=1S/C37H66NOP/c39-40-34-23-15-4-1-3-11-20-31(28-34)30-19-12-7-9-14-22-33(27-30)38(40)37-26-18-6-2-5-17-25-36(37)32-21-13-8-10-16-24-35(40)29-32/h30-37H,1-29H2
InChIKeyZMDZYCDOLYHAAZ-UHFFFAOYSA-N
XLogP11.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.92
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide with MolForge

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Launch Full Analysis

Related Compounds

11-methyl-11-azatricyclo[10.7.1.02,10]icosane
CID 166832080
9-(3-cyclohexylcyclohexyl)-3-[9-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(4-cyclohexylcyclohexyl)-3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 161252152
2-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 118228717
9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 155326548
3-[3-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl)cyclohexyl]-9-(3,5-dicyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;9-(3-cyclohexylcyclohexyl)-3-[3-[9-(4-cyclohexylcyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-3-yl]cyclohexyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 159703470
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
9-cyclohexyl-7-(9-cyclohexyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazol-2-yl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydropyrido[3,4-b]indole
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2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
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CID 140888745
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CID 171754349
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Frequently Asked Questions

What is the IUPAC name of 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide?
The IUPAC name of 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide (CID 130347156) is 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide.
What is the SMILES notation for 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide?
The canonical SMILES for 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide is O=P12C3CCCCCCCC(C3)C3CCCCCCC(C3)N1C1CCCCCCCC1C1CCCCCCC2C1.
What is the InChIKey of 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide?
The InChIKey is ZMDZYCDOLYHAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H66NOP/c39-40-34-23-15-4-1-3-11-20-31(28-34)30-19-12-7-9-14-22-33(27-30)38(40)37-26-18-6-2-5-17-25-36(37)32-21-13-8-10-16-24-35(40)29-32/h30-37H,1-29H2.
What are the key properties of 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide?
20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide has a molecular weight of 571.92 g/mol, XLogP of 11.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-aza-2λ5-phosphahexacyclo[27.7.1.13,10.121,28.02,20.011,19]nonatriacontane 2-oxide is sourced from PubChem (CID 130347156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).