10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine

C38H31N2OP — CID 134194170

IUPAC10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccnc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21
InChIInChI=1S/C38H31N2OP/c1-38(2)33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)38)30-15-13-14-28(26-30)29-24-25-39-37(27-29)42(41,31-16-5-3-6-17-31)32-18-7-4-8-19-32/h3-27H,1-2H3
InChIKeyHSUAABORMRFNDC-UHFFFAOYSA-N
MW562.65 g/mol
LogP8.50
Rot. Bonds5

About 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine

10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine (PubChem CID 134194170) has the molecular formula C38H31N2OP and a molecular weight of 562.65 g/mol. Its IUPAC name is 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
PubChem CID134194170
Molecular FormulaC38H31N2OP
Molecular Weight562.65 g/mol
Exact Mass562.22
IUPAC Name10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3ccnc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21
InChIInChI=1S/C38H31N2OP/c1-38(2)33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)38)30-15-13-14-28(26-30)29-24-25-39-37(27-29)42(41,31-16-5-3-6-17-31)32-18-7-4-8-19-32/h3-27H,1-2H3
InChIKeyHSUAABORMRFNDC-UHFFFAOYSA-N
XLogP8.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.65
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine;10-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]-9,9-dimethylacridine;10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine;10-[3-(6-diphenylphosphoryl-2-pyridinyl)phenyl]-9,9-dimethylacridine
CID 161401343
9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine
CID 134194151
9,9-dimethyl-10-[3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]phenyl]acridine
CID 135193037
10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine
CID 134194182
10-[3-carbazol-9-yl-5-(4-diphenylphosphoryl-2-pyridinyl)phenyl]-9,9-dimethylacridine;10-[3-carbazol-9-yl-5-[3-[phenyl(pyridin-2-yl)phosphoryl]phenyl]phenyl]-9,9-dimethylacridine;10-[3-(2-diphenylphosphoryl-4-pyridinyl)-5-isocyanophenyl]-9,9-dimethylacridine;10-[3-(6-diphenylphosphoryl-2-pyridinyl)-5-isocyanophenyl]-9,9-dimethylacridine
CID 162173186
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine
CID 134194146
10-[3-[[2-(9,9-dimethylacridin-10-yl)-4-pyridinyl]-phenylphosphoryl]phenyl]-9,9-dimethylacridine;10-(6-diphenylphosphoryl-2-methyl-3-pyridinyl)-9,9-dimethylacridine;10-(5-diphenylphosphoryl-2-pyridinyl)-9,9-dimethylacridine;10-(6-diphenylphosphoryl-2-pyridinyl)-9,9-dimethylacridine
CID 161227213
2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine (CID 134194170) is 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc(-c3ccnc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21.
What is the InChIKey of 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine?
The InChIKey is HSUAABORMRFNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N2OP/c1-38(2)33-20-9-11-22-35(33)40(36-23-12-10-21-34(36)38)30-15-13-14-28(26-30)29-24-25-39-37(27-29)42(41,31-16-5-3-6-17-31)32-18-7-4-8-19-32/h3-27H,1-2H3.
What are the key properties of 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine?
10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine has a molecular weight of 562.65 g/mol, XLogP of 8.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 134194170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).