9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene

C61H38NOP — CID 129265801

IUPAC9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc(-c2cc3c(-c4ccccc4)nc4c5ccccc5c5ccccc5c4c3c3ccccc23)c2ccccc12
InChIInChI=1S/C61H38NOP/c63-64(44-32-30-39-16-4-6-20-42(39)36-44,45-33-31-40-17-5-7-21-43(40)37-45)57-35-34-50(46-22-8-12-26-51(46)57)55-38-56-58(52-27-13-10-25-49(52)55)59-53-28-14-9-23-47(53)48-24-11-15-29-54(48)61(59)62-60(56)41-18-2-1-3-19-41/h1-38H
InChIKeyQWDZESVMXQCALW-UHFFFAOYSA-N
MW831.96 g/mol
LogP15.28
Rot. Bonds5

About 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene

9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene (PubChem CID 129265801) has the molecular formula C61H38NOP and a molecular weight of 831.96 g/mol. Its IUPAC name is 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene
PubChem CID129265801
Molecular FormulaC61H38NOP
Molecular Weight831.96 g/mol
Exact Mass831.27
IUPAC Name9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene
SMILESO=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc(-c2cc3c(-c4ccccc4)nc4c5ccccc5c5ccccc5c4c3c3ccccc23)c2ccccc12
InChIInChI=1S/C61H38NOP/c63-64(44-32-30-39-16-4-6-20-42(39)36-44,45-33-31-40-17-5-7-21-43(40)37-45)57-35-34-50(46-22-8-12-26-51(46)57)55-38-56-58(52-27-13-10-25-49(52)55)59-53-28-14-9-23-47(53)48-24-11-15-29-54(48)61(59)62-60(56)41-18-2-1-3-19-41/h1-38H
InChIKeyQWDZESVMXQCALW-UHFFFAOYSA-N
XLogP15.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.96
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene with MolForge

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Related Compounds

9-(4-diphenylphosphorylphenyl)-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129176255
diphenyl-(21-phenyl-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaen-18-yl)-sulfanylidene-λ5-phosphane
CID 129265791
9-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)phenyl]-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene
CID 129265737
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
2-(6-diphenylphosphoryl-9,10-dinaphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;2-[6-(4-diphenylphosphorylnaphthalen-1-yl)-9,10-diphenylanthracen-2-yl]-1,10-phenanthroline;2-[6-(4-diphenylphosphorylphenyl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]-1,10-phenanthroline
CID 159461777
10-(4-diphenylphosphorylnaphthalen-1-yl)-2,13-dioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,10,14,16,18,20-decaene
CID 126501723
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 157104263
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline;2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 159478084
21-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene;21-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 159844807

Frequently Asked Questions

What is the IUPAC name of 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene?
The IUPAC name of 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene (CID 129265801) is 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene is O=P(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc(-c2cc3c(-c4ccccc4)nc4c5ccccc5c5ccccc5c4c3c3ccccc23)c2ccccc12.
What is the InChIKey of 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene?
The InChIKey is QWDZESVMXQCALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38NOP/c63-64(44-32-30-39-16-4-6-20-42(39)36-44,45-33-31-40-17-5-7-21-43(40)37-45)57-35-34-50(46-22-8-12-26-51(46)57)55-38-56-58(52-27-13-10-25-49(52)55)59-53-28-14-9-23-47(53)48-24-11-15-29-54(48)61(59)62-60(56)41-18-2-1-3-19-41/h1-38H.
What are the key properties of 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene?
9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene has a molecular weight of 831.96 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dinaphthalen-2-ylphosphorylnaphthalen-1-yl)-12-phenyl-13-azahexacyclo[12.12.0.02,11.03,8.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 129265801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).