naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene

C60H39N2OP — CID 174874632

IUPACnaphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
SMILESO=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C38H23OP.C12H8N2.C10H8/c39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-23H;1-8H;1-8H
InChIKeyVOFIHNYGYDRLQU-UHFFFAOYSA-N
MW834.96 g/mol
LogP14.74
Rot. Bonds3

About naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene

naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene (PubChem CID 174874632) has the molecular formula C60H39N2OP and a molecular weight of 834.96 g/mol. Its IUPAC name is naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene.

Molecular Properties

Compound Namenaphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
PubChem CID174874632
Molecular FormulaC60H39N2OP
Molecular Weight834.96 g/mol
Exact Mass834.28
IUPAC Namenaphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
SMILESO=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccccc2c1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C38H23OP.C12H8N2.C10H8/c39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-23H;1-8H;1-8H
InChIKeyVOFIHNYGYDRLQU-UHFFFAOYSA-N
XLogP14.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.96
LogP ≤ 514.74
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'}

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Related Compounds

2-[5-(6-diphenylphosphorylpyren-1-yl)pyrimidin-2-yl]-1,10-phenanthroline
CID 134470966
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
2,9-bis(diphenylphosphoryl)pentacene;2-dinaphthalen-1-ylphosphoryltetracene;14-diphenylphosphorylnaphtho[1,2-b]phenanthrene;2-diphenylphosphorylnaphtho[2,3-g]quinoline;2-diphenylphosphorylpentacene;6-diphenylphosphorylpentacene;2-[phenyl(pyren-1-yl)phosphoryl]-1,10-phenanthroline;2-[phenyl(pyren-1-yl)phosphoryl]tetracene;2-[phenyl(tetracen-2-yl)phosphoryl]tetracene
CID 158365460
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
7-(3-diphenylphosphorylphenyl)benzo[k][1,8]phenanthroline
CID 122471852
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-(4-dinaphthalen-1-ylphosphorylphenyl)-1,8-naphthyridine;2-(4-dinaphthalen-1-ylphosphorylphenyl)quinoxaline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene;tri(quinolin-8-yloxy)alumane
CID 158331931
1,10-phenanthroline;samarium
CID 174616745
2-[6-(2-diphenylphosphorylquinolin-6-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470943
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-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916

Frequently Asked Questions

What is the IUPAC name of naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The IUPAC name of naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene (CID 174874632) is naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene.
What is the SMILES notation for naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The canonical SMILES for naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene is O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc2ccccc2c1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The InChIKey is VOFIHNYGYDRLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23OP.C12H8N2.C10H8/c39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-2-6-10-8-4-3-7-9(10)5-1/h1-23H;1-8H;1-8H.
What are the key properties of naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene has a molecular weight of 834.96 g/mol, XLogP of 14.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene is sourced from PubChem (CID 174874632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).