9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine

C131H107N10O3P3 — CID 159590291

IUPAC9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine
SMILESCc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccn3)cc2C(C)(C)c2cc(-c3ccccn3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C45H37N2OP.2C43H35N4OP/c1-32-28-38(49(48,37-18-11-6-12-19-37)39-20-13-27-46-31-39)23-26-42(32)47-43-24-21-35(33-14-7-4-8-15-33)29-40(43)45(2,3)41-30-36(22-25-44(41)47)34-16-9-5-10-17-34;1-30-24-36(49(48,35-12-5-4-6-13-35)37-14-9-23-46-29-37)17-20-40(30)47-41-18-15-31(33-10-7-21-44-27-33)25-38(41)43(2,3)39-26-32(16-19-42(39)47)34-11-8-22-45-28-34;1-30-26-34(49(48,33-12-5-4-6-13-33)35-14-11-23-44-29-35)19-22-40(30)47-41-20-17-31(38-15-7-9-24-45-38)27-36(41)43(2,3)37-28-32(18-21-42(37)47)39-16-8-10-25-46-39/h4-31H,1-3H3;2*4-29H,1-3H3
InChIKeyMKDMRZJQFFSFKZ-UHFFFAOYSA-N
MW1962.29 g/mol
LogP29.00
Rot. Bonds18

About 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine

9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine (PubChem CID 159590291) has the molecular formula C131H107N10O3P3 and a molecular weight of 1962.29 g/mol. Its IUPAC name is 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine
PubChem CID159590291
Molecular FormulaC131H107N10O3P3
Molecular Weight1962.29 g/mol
Exact Mass1960.77
IUPAC Name9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine
SMILESCc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccn3)cc2C(C)(C)c2cc(-c3ccccn3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C45H37N2OP.2C43H35N4OP/c1-32-28-38(49(48,37-18-11-6-12-19-37)39-20-13-27-46-31-39)23-26-42(32)47-43-24-21-35(33-14-7-4-8-15-33)29-40(43)45(2,3)41-30-36(22-25-44(41)47)34-16-9-5-10-17-34;1-30-24-36(49(48,35-12-5-4-6-13-35)37-14-9-23-46-29-37)17-20-40(30)47-41-18-15-31(33-10-7-21-44-27-33)25-38(41)43(2,3)39-26-32(16-19-42(39)47)34-11-8-22-45-28-34;1-30-26-34(49(48,33-12-5-4-6-13-33)35-14-11-23-44-29-35)19-22-40(30)47-41-20-17-31(38-15-7-9-24-45-38)27-36(41)43(2,3)37-28-32(18-21-42(37)47)39-16-8-10-25-46-39/h4-31H,1-3H3;2*4-29H,1-3H3
InChIKeyMKDMRZJQFFSFKZ-UHFFFAOYSA-N
XLogP29.00
TPSA151.16 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.29
LogP ≤ 529.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine?
The IUPAC name of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine (CID 159590291) is 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine.
What is the SMILES notation for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine?
The canonical SMILES for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine is Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3ccccn3)cc2C(C)(C)c2cc(-c3ccccn3)ccc21.Cc1cc(P(=O)(c2ccccc2)c2cccnc2)ccc1N1c2ccc(-c3cccnc3)cc2C(C)(C)c2cc(-c3cccnc3)ccc21.
What is the InChIKey of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine?
The InChIKey is MKDMRZJQFFSFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N2OP.2C43H35N4OP/c1-32-28-38(49(48,37-18-11-6-12-19-37)39-20-13-27-46-31-39)23-26-42(32)47-43-24-21-35(33-14-7-4-8-15-33)29-40(43)45(2,3)41-30-36(22-25-44(41)47)34-16-9-5-10-17-34;1-30-24-36(49(48,35-12-5-4-6-13-35)37-14-9-23-46-29-37)17-20-40(30)47-41-18-15-31(33-10-7-21-44-27-33)25-38(41)43(2,3)39-26-32(16-19-42(39)47)34-11-8-22-45-28-34;1-30-26-34(49(48,33-12-5-4-6-13-33)35-14-11-23-44-29-35)19-22-40(30)47-41-20-17-31(38-15-7-9-24-45-38)27-36(41)43(2,3)37-28-32(18-21-42(37)47)39-16-8-10-25-46-39/h4-31H,1-3H3;2*4-29H,1-3H3.
What are the key properties of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine?
9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine has a molecular weight of 1962.29 g/mol, XLogP of 29.00, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-diphenylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-2-ylacridine;9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-2,7-dipyridin-3-ylacridine is sourced from PubChem (CID 159590291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).