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

C175H113AlN11O6P3 — CID 158331931

IUPAC2-(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
SMILESO=P(c1ccc(-c2ccc3cccnc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccc(-c2cnc3ccccc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C42H26N4.C38H23OP.2C34H23N2OP.3C9H7NO.Al/c1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;39-40(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;37-38(32-15-5-10-24-8-1-3-13-29(24)32,33-16-6-11-25-9-2-4-14-30(25)33)28-20-17-26(18-21-28)31-22-19-27-12-7-23-35-34(27)36-31;37-38(33-17-7-11-24-9-1-3-13-28(24)33,34-18-8-12-25-10-2-4-14-29(25)34)27-21-19-26(20-22-27)32-23-35-30-15-5-6-16-31(30)36-32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-26H;1-23H;2*1-23H;3*1-6,11H;/q;;;;;;;+3/p-3
InChIKeyGQCRWHKIECUUIM-UHFFFAOYSA-K
MW2585.80 g/mol
LogP40.01
Rot. Bonds21

About 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

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 (PubChem CID 158331931) has the molecular formula C175H113AlN11O6P3 and a molecular weight of 2585.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158331931
Molecular FormulaC175H113AlN11O6P3
Molecular Weight2585.80 g/mol
Exact Mass2583.79
IUPAC Name2-(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
SMILESO=P(c1ccc(-c2ccc3cccnc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccc(-c2cnc3ccccc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C42H26N4.C38H23OP.2C34H23N2OP.3C9H7NO.Al/c1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;39-40(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;37-38(32-15-5-10-24-8-1-3-13-29(24)32,33-16-6-11-25-9-2-4-14-30(25)33)28-20-17-26(18-21-28)31-22-19-27-12-7-23-35-34(27)36-31;37-38(33-17-7-11-24-9-1-3-13-28(24)33,34-18-8-12-25-10-2-4-14-29(25)34)27-21-19-26(20-22-27)32-23-35-30-15-5-6-16-31(30)36-32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-26H;1-23H;2*1-23H;3*1-6,11H;/q;;;;;;;+3/p-3
InChIKeyGQCRWHKIECUUIM-UHFFFAOYSA-K
XLogP40.01
TPSA220.69 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002585.80
LogP ≤ 540.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
naphthalene;1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
CID 174874632
2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline
CID 134470932
2-[5-(6-diphenylphosphorylpyren-1-yl)pyrimidin-2-yl]-1,10-phenanthroline
CID 134470966
6-(3-diphenylphosphorylphenyl)-8-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665332
2-(6-diphenylphosphoryl-9,10-diphenylanthracen-2-yl)-1,10-phenanthroline
CID 134470904
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
2-[6-(6-diphenylphosphorylnaphthalen-2-yl)pyren-1-yl]-1,10-phenanthroline
CID 134470914
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
5-[4-(4-diphenylphosphorylphenyl)phenyl]-3-phenylbenzo[i][1,9]phenanthroline
CID 164810755
3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
CID 157059157

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P(c1ccc(-c2ccc3cccnc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccc(-c2cnc3ccccc3n2)cc1)(c1cccc2ccccc12)c1cccc2ccccc12.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 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?
The InChIKey is GQCRWHKIECUUIM-UHFFFAOYSA-K. The full InChI is InChI=1S/C42H26N4.C38H23OP.2C34H23N2OP.3C9H7NO.Al/c1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;39-40(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;37-38(32-15-5-10-24-8-1-3-13-29(24)32,33-16-6-11-25-9-2-4-14-30(25)33)28-20-17-26(18-21-28)31-22-19-27-12-7-23-35-34(27)36-31;37-38(33-17-7-11-24-9-1-3-13-28(24)33,34-18-8-12-25-10-2-4-14-29(25)34)27-21-19-26(20-22-27)32-23-35-30-15-5-6-16-31(30)36-32;3*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-26H;1-23H;2*1-23H;3*1-6,11H;/q;;;;;;;+3/p-3.
What are the key properties of 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?
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 has a molecular weight of 2585.80 g/mol, XLogP of 40.01, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158331931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).