10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine

C47H40N3OP — CID 134194182

IUPAC10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(P(=O)(c3ccccc3)c3cccnc3)c2)c2ccccc21
InChIInChI=1S/C47H40N3OP/c1-46(2)38-20-8-12-24-42(38)49(43-25-13-9-21-39(43)46)33-29-34(50-44-26-14-10-22-40(44)47(3,4)41-23-11-15-27-45(41)50)31-37(30-33)52(51,35-17-6-5-7-18-35)36-19-16-28-48-32-36/h5-32H,1-4H3
InChIKeyXCQPQXWHARVZCV-UHFFFAOYSA-N
MW693.83 g/mol
LogP10.94
Rot. Bonds5

About 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine

10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine (PubChem CID 134194182) has the molecular formula C47H40N3OP and a molecular weight of 693.83 g/mol. Its IUPAC name is 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine
PubChem CID134194182
Molecular FormulaC47H40N3OP
Molecular Weight693.83 g/mol
Exact Mass693.29
IUPAC Name10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(P(=O)(c3ccccc3)c3cccnc3)c2)c2ccccc21
InChIInChI=1S/C47H40N3OP/c1-46(2)38-20-8-12-24-42(38)49(43-25-13-9-21-39(43)46)33-29-34(50-44-26-14-10-22-40(44)47(3,4)41-23-11-15-27-45(41)50)31-37(30-33)52(51,35-17-6-5-7-18-35)36-19-16-28-48-32-36/h5-32H,1-4H3
InChIKeyXCQPQXWHARVZCV-UHFFFAOYSA-N
XLogP10.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.83
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-[3-(2-diphenylphosphoryl-4-pyridinyl)phenyl]-9,9-dimethylacridine
CID 134194170
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
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
9,9-dimethyl-10-[3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]phenyl]acridine
CID 135193037
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
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine
CID 134194151
10-[3-(9,9-dimethylacridin-10-yl)-5-nitrophenyl]-9,9-dimethylacridine
CID 59399557
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine
CID 134194146
3,6-bis(diphenylphosphoryl)-9,9-dimethylfluorene
CID 58758028

Frequently Asked Questions

What is the IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine (CID 134194182) is 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cc(N3c4ccccc4C(C)(C)c4ccccc43)cc(P(=O)(c3ccccc3)c3cccnc3)c2)c2ccccc21.
What is the InChIKey of 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine?
The InChIKey is XCQPQXWHARVZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N3OP/c1-46(2)38-20-8-12-24-42(38)49(43-25-13-9-21-39(43)46)33-29-34(50-44-26-14-10-22-40(44)47(3,4)41-23-11-15-27-45(41)50)31-37(30-33)52(51,35-17-6-5-7-18-35)36-19-16-28-48-32-36/h5-32H,1-4H3.
What are the key properties of 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine?
10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine has a molecular weight of 693.83 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(9,9-dimethylacridin-10-yl)-5-[phenyl(pyridin-3-yl)phosphoryl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 134194182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).