7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene

C61H42N4O2P2 — CID 139318562

IUPAC7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4n(c3c2)-c2cc(-c3cnc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5c3)ccc2C2c3ccccc3C=CC42)nc1
InChIInChI=1S/C61H42N4O2P2/c66-68(46-16-5-1-6-17-46,47-18-7-2-8-19-47)50-29-25-43-35-45(39-62-57(43)38-50)42-27-31-53-58(36-42)65-59-37-44(28-33-56(59)64-61(65)54-32-26-41-15-13-14-24-52(41)60(53)54)55-34-30-51(40-63-55)69(67,48-20-9-3-10-21-48)49-22-11-4-12-23-49/h1-40,54,60H
InChIKeySVFLCLCUGLZURB-UHFFFAOYSA-N
MW924.98 g/mol
LogP11.84
Rot. Bonds8

About 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene

7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene (PubChem CID 139318562) has the molecular formula C61H42N4O2P2 and a molecular weight of 924.98 g/mol. Its IUPAC name is 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene.

Molecular Properties

Compound Name7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene
PubChem CID139318562
Molecular FormulaC61H42N4O2P2
Molecular Weight924.98 g/mol
Exact Mass924.28
IUPAC Name7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4n(c3c2)-c2cc(-c3cnc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5c3)ccc2C2c3ccccc3C=CC42)nc1
InChIInChI=1S/C61H42N4O2P2/c66-68(46-16-5-1-6-17-46,47-18-7-2-8-19-47)50-29-25-43-35-45(39-62-57(43)38-50)42-27-31-53-58(36-42)65-59-37-44(28-33-56(59)64-61(65)54-32-26-41-15-13-14-24-52(41)60(53)54)55-34-30-51(40-63-55)69(67,48-20-9-3-10-21-48)49-22-11-4-12-23-49/h1-40,54,60H
InChIKeySVFLCLCUGLZURB-UHFFFAOYSA-N
XLogP11.84
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.98
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene?
The IUPAC name of 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene (CID 139318562) is 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene.
What is the SMILES notation for 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene?
The canonical SMILES for 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc3nc4n(c3c2)-c2cc(-c3cnc5cc(P(=O)(c6ccccc6)c6ccccc6)ccc5c3)ccc2C2c3ccccc3C=CC42)nc1.
What is the InChIKey of 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene?
The InChIKey is SVFLCLCUGLZURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4O2P2/c66-68(46-16-5-1-6-17-46,47-18-7-2-8-19-47)50-29-25-43-35-45(39-62-57(43)38-50)42-27-31-53-58(36-42)65-59-37-44(28-33-56(59)64-61(65)54-32-26-41-15-13-14-24-52(41)60(53)54)55-34-30-51(40-63-55)69(67,48-20-9-3-10-21-48)49-22-11-4-12-23-49/h1-40,54,60H.
What are the key properties of 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene?
7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene has a molecular weight of 924.98 g/mol, XLogP of 11.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-diphenylphosphoryl-2-pyridinyl)-13-(7-diphenylphosphorylquinolin-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-2,4(9),5,7,11(16),12,14,18,20,22,24-undecaene is sourced from PubChem (CID 139318562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).