9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine

C33H29N2OP — CID 134194151

IUPAC9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C33H29N2OP/c1-24-23-26(37(36,25-13-5-4-6-14-25)32-19-11-12-22-34-32)20-21-29(24)35-30-17-9-7-15-27(30)33(2,3)28-16-8-10-18-31(28)35/h4-23H,1-3H3
InChIKeyWBJGXWZTWFOHFU-UHFFFAOYSA-N
MW500.58 g/mol
LogP7.14
Rot. Bonds4

About 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine

9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine (PubChem CID 134194151) has the molecular formula C33H29N2OP and a molecular weight of 500.58 g/mol. Its IUPAC name is 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine
PubChem CID134194151
Molecular FormulaC33H29N2OP
Molecular Weight500.58 g/mol
Exact Mass500.20
IUPAC Name9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine
SMILESCc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2ccccc21
InChIInChI=1S/C33H29N2OP/c1-24-23-26(37(36,25-13-5-4-6-14-25)32-19-11-12-22-34-32)20-21-29(24)35-30-17-9-7-15-27(30)33(2,3)28-16-8-10-18-31(28)35/h4-23H,1-3H3
InChIKeyWBJGXWZTWFOHFU-UHFFFAOYSA-N
XLogP7.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine?
The IUPAC name of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine (CID 134194151) is 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine.
What is the SMILES notation for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine?
The canonical SMILES for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine is Cc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1N1c2ccccc2C(C)(C)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine?
The InChIKey is WBJGXWZTWFOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N2OP/c1-24-23-26(37(36,25-13-5-4-6-14-25)32-19-11-12-22-34-32)20-21-29(24)35-30-17-9-7-15-27(30)33(2,3)28-16-8-10-18-31(28)35/h4-23H,1-3H3.
What are the key properties of 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine?
9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine has a molecular weight of 500.58 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]acridine is sourced from PubChem (CID 134194151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).