7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide

C38H24NOP — CID 169132256

IUPAC7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32
InChIInChI=1S/C38H24NOP/c40-41(24-12-2-1-3-13-24)33-22-9-8-20-31(33)39-32-21-10-16-27-35-25-14-4-6-17-28(25)38(36(27)32,29-18-7-5-15-26(29)35)30-19-11-23-34(41)37(30)39/h1-23,35H
InChIKeyVAPNRRBWYLEMDO-UHFFFAOYSA-N
MW541.59 g/mol
LogP7.61
Rot. Bonds1

About 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide

7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide (PubChem CID 169132256) has the molecular formula C38H24NOP and a molecular weight of 541.59 g/mol. Its IUPAC name is 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide.

Molecular Properties

Compound Name7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide
PubChem CID169132256
Molecular FormulaC38H24NOP
Molecular Weight541.59 g/mol
Exact Mass541.16
IUPAC Name7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide
SMILESO=P1(c2ccccc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32
InChIInChI=1S/C38H24NOP/c40-41(24-12-2-1-3-13-24)33-22-9-8-20-31(33)39-32-21-10-16-27-35-25-14-4-6-17-28(25)38(36(27)32,29-18-7-5-15-26(29)35)30-19-11-23-34(41)37(30)39/h1-23,35H
InChIKeyVAPNRRBWYLEMDO-UHFFFAOYSA-N
XLogP7.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide?
The IUPAC name of 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide (CID 169132256) is 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide.
What is the SMILES notation for 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide?
The canonical SMILES for 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide is O=P1(c2ccccc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32.
What is the InChIKey of 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide?
The InChIKey is VAPNRRBWYLEMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24NOP/c40-41(24-12-2-1-3-13-24)33-22-9-8-20-31(33)39-32-21-10-16-27-35-25-14-4-6-17-28(25)38(36(27)32,29-18-7-5-15-26(29)35)30-19-11-23-34(41)37(30)39/h1-23,35H.
What are the key properties of 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide?
7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide has a molecular weight of 541.59 g/mol, XLogP of 7.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-14-aza-7λ5-phosphanonacyclo[18.6.6.11,15.12,6.08,13.021,26.027,32.014,34.019,33]tetratriaconta-2(34),3,5,8,10,12,15,17,19(33),21,23,25,27,29,31-pentadecaene 7-oxide is sourced from PubChem (CID 169132256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).