7-(4-phenylphenyl)-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

C44H28NOP — CID 169132283

IUPAC7-(4-phenylphenyl)-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(c2ccc(-c3ccccc3)cc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32
InChIInChI=1S/C44H28NOP/c46-47(30-26-24-29(25-27-30)28-12-2-1-3-13-28)39-22-9-8-20-37(39)45-38-21-10-16-33-41-31-14-4-6-17-34(31)44(42(33)38,35-18-7-5-15-32(35)41)36-19-11-23-40(47)43(36)45/h1-27,41H
InChIKeySTWKSCFVFXKNPB-UHFFFAOYSA-N
MW617.69 g/mol
LogP9.28
Rot. Bonds2

About 7-(4-phenylphenyl)-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-(4-phenylphenyl)-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 169132283) has the molecular formula C44H28NOP and a molecular weight of 617.69 g/mol. Its IUPAC name is 7-(4-phenylphenyl)-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-(4-phenylphenyl)-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 CID169132283
Molecular FormulaC44H28NOP
Molecular Weight617.69 g/mol
Exact Mass617.19
IUPAC Name7-(4-phenylphenyl)-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(c2ccc(-c3ccccc3)cc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32
InChIInChI=1S/C44H28NOP/c46-47(30-26-24-29(25-27-30)28-12-2-1-3-13-28)39-22-9-8-20-37(39)45-38-21-10-16-33-41-31-14-4-6-17-34(31)44(42(33)38,35-18-7-5-15-32(35)41)36-19-11-23-40(47)43(36)45/h1-27,41H
InChIKeySTWKSCFVFXKNPB-UHFFFAOYSA-N
XLogP9.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.69
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(4-phenylphenyl)-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-(4-phenylphenyl)-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-(4-phenylphenyl)-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 169132283) is 7-(4-phenylphenyl)-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-(4-phenylphenyl)-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-(4-phenylphenyl)-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(c2ccc(-c3ccccc3)cc2)c2ccccc2N2c3cccc4c3C3(c5ccccc5C4c4ccccc43)c3cccc1c32.
What is the InChIKey of 7-(4-phenylphenyl)-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 STWKSCFVFXKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28NOP/c46-47(30-26-24-29(25-27-30)28-12-2-1-3-13-28)39-22-9-8-20-37(39)45-38-21-10-16-33-41-31-14-4-6-17-34(31)44(42(33)38,35-18-7-5-15-32(35)41)36-19-11-23-40(47)43(36)45/h1-27,41H.
What are the key properties of 7-(4-phenylphenyl)-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-(4-phenylphenyl)-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 617.69 g/mol, XLogP of 9.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylphenyl)-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 169132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).