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

C159H129N9O4P4 — CID 161401343

About 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

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 (PubChem CID 161401343) has the molecular formula C159H129N9O4P4 and a molecular weight of 2353.74 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161401343
• Molecular Formula: C159H129N9O4P4
• Molecular Weight: 2353.74 g/mol
• Exact Mass: 2351.91
• IUPAC Name: 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
• SMILES: CC1(C)c2ccccc2N(c2cccc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)n3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccnc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21.Cc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1-n1c2ccccc2c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
• InChI: InChI=1S/C45H36N3OP.3C38H31N2OP/c1-31-29-34(50(49,33-15-5-4-6-16-33)44-23-13-14-28-46-44)25-27-39(31)48-40-20-10-7-17-35(40)36-30-32(24-26-41(36)48)47-42-21-11-8-18-37(42)45(2,3)38-19-9-12-22-43(38)47;1-38(2)32-21-9-11-24-35(32)40(36-25-12-10-22-33(36)38)29-16-13-15-28(27-29)34-23-14-26-37(39-34)42(41,30-17-5-3-6-18-30)31-19-7-4-8-20-31;1-38(2)32-21-9-11-24-35(32)40(36-25-12-10-22-33(36)38)37-26-14-23-34(39-37)28-15-13-20-31(27-28)42(41,29-16-5-3-6-17-29)30-18-7-4-8-19-30;1-38(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/h4-30H,1-3H3;3*3-27H,1-2H3
• InChIKey: VUGWOOZFYHFZQS-UHFFFAOYSA-N
• XLogP: 35.73
• TPSA: 137.73 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 20
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2353.74
LogP ≤ 5	35.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2cccc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)c3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3cccc(P(=O)(c4ccccc4)c4ccccc4)n3)c2)c2ccccc21.CC1(C)c2ccccc2N(c2cccc(-c3ccnc(P(=O)(c4ccccc4)c4ccccc4)c3)c2)c2ccccc21.Cc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1-n1c2ccccc2c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.

What is the InChIKey of 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?

The InChIKey is VUGWOOZFYHFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N3OP.3C38H31N2OP/c1-31-29-34(50(49,33-15-5-4-6-16-33)44-23-13-14-28-46-44)25-27-39(31)48-40-20-10-7-17-35(40)36-30-32(24-26-41(36)48)47-42-21-11-8-18-37(42)45(2,3)38-19-9-12-22-43(38)47;1-38(2)32-21-9-11-24-35(32)40(36-25-12-10-22-33(36)38)29-16-13-15-28(27-29)34-23-14-26-37(39-34)42(41,30-17-5-3-6-18-30)31-19-7-4-8-20-31;1-38(2)32-21-9-11-24-35(32)40(36-25-12-10-22-33(36)38)37-26-14-23-34(39-37)28-15-13-20-31(27-28)42(41,29-16-5-3-6-17-29)30-18-7-4-8-19-30;1-38(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/h4-30H,1-3H3;3*3-27H,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 2353.74 g/mol, XLogP of 35.73, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161401343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).