oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium

C32H20N2OP+ — CID 129037726

IUPACoxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium
SMILESO=[P+](c1ccccc1)c1ccc2c(c1)nc(-c1ccccc1)c1ccc3ccc4cccnc4c3c12
InChIInChI=1S/C32H20N2OP/c35-36(24-11-5-2-6-12-24)25-16-18-26-28(20-25)34-31(22-8-3-1-4-9-22)27-17-15-21-13-14-23-10-7-19-33-32(23)29(21)30(26)27/h1-20H/q+1
InChIKeyUCLIKGQBHKMOOA-UHFFFAOYSA-N
MW479.50 g/mol
LogP7.53
Rot. Bonds3

About oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium

oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium (PubChem CID 129037726) has the molecular formula C32H20N2OP+ and a molecular weight of 479.50 g/mol. Its IUPAC name is oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium.

Molecular Properties

Compound Nameoxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium
PubChem CID129037726
Molecular FormulaC32H20N2OP+
Molecular Weight479.50 g/mol
Exact Mass479.13
IUPAC Nameoxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium
SMILESO=[P+](c1ccccc1)c1ccc2c(c1)nc(-c1ccccc1)c1ccc3ccc4cccnc4c3c12
InChIInChI=1S/C32H20N2OP/c35-36(24-11-5-2-6-12-24)25-16-18-26-28(20-25)34-31(22-8-3-1-4-9-22)27-17-15-21-13-14-23-10-7-19-33-32(23)29(21)30(26)27/h1-20H/q+1
InChIKeyUCLIKGQBHKMOOA-UHFFFAOYSA-N
XLogP7.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium with MolForge

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Related Compounds

15-phenyl-19-(10-pyridin-4-ylanthracen-9-yl)-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 129037760
15-[4-(3-pyridin-4-ylphenyl)phenyl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 129037664
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471965
10-(10-bromoanthracen-9-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122472009
10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
6-[4-(1,8-phenanthrolin-7-yl)phenyl]-N,N-diphenylbenzo[k]phenanthridin-3-amine
CID 171055269
7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
13-phenylquinolino[3,4-b][1,10]phenanthroline
CID 163799211
11-(1,10-phenanthrolin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513096

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium?
The IUPAC name of oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium (CID 129037726) is oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium.
What is the SMILES notation for oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium?
The canonical SMILES for oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium is O=[P+](c1ccccc1)c1ccc2c(c1)nc(-c1ccccc1)c1ccc3ccc4cccnc4c3c12.
What is the InChIKey of oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium?
The InChIKey is UCLIKGQBHKMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2OP/c35-36(24-11-5-2-6-12-24)25-16-18-26-28(20-25)34-31(22-8-3-1-4-9-22)27-17-15-21-13-14-23-10-7-19-33-32(23)29(21)30(26)27/h1-20H/q+1.
What are the key properties of oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium?
oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium has a molecular weight of 479.50 g/mol, XLogP of 7.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-(15-phenyl-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaen-19-yl)phosphanium is sourced from PubChem (CID 129037726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).