10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine

C45H35N2OP — CID 140928529

IUPAC10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C45H35N2OP/c1-45(2)39-23-13-15-25-43(39)47(49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36)44-29-27-34(31-40(44)45)46-41-24-14-12-22-37(41)38-30-33(26-28-42(38)46)32-16-6-3-7-17-32/h3-31H,1-2H3
InChIKeyJGFUOPXXCXPTQL-UHFFFAOYSA-N
MW650.76 g/mol
LogP11.16
Rot. Bonds5

About 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine

10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine (PubChem CID 140928529) has the molecular formula C45H35N2OP and a molecular weight of 650.76 g/mol. Its IUPAC name is 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine.

Molecular Properties

Compound Name10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
PubChem CID140928529
Molecular FormulaC45H35N2OP
Molecular Weight650.76 g/mol
Exact Mass650.25
IUPAC Name10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C45H35N2OP/c1-45(2)39-23-13-15-25-43(39)47(49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36)44-29-27-34(31-40(44)45)46-41-24-14-12-22-37(41)38-30-33(26-28-42(38)46)32-16-6-3-7-17-32/h3-31H,1-2H3
InChIKeyJGFUOPXXCXPTQL-UHFFFAOYSA-N
XLogP11.16
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.76
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
CID 140928513
3-(10,10-dimethyl-3-phenyl-9H-anthracen-9-yl)-9-diphenylphosphorylcarbazole;2-(3,6-diphenylcarbazol-9-yl)-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphoryl-6-phenylcarbazol-3-yl)-9,9-dimethyl-2-phenylacridine
CID 159453377
3-carbazol-9-yl-9-diphenylphosphorylcarbazole;2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine;10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-diphenylacridine
CID 161223597
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698

Frequently Asked Questions

What is the IUPAC name of 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine?
The IUPAC name of 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine (CID 140928529) is 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine.
What is the SMILES notation for 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine?
The canonical SMILES for 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine is CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc21.
What is the InChIKey of 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine?
The InChIKey is JGFUOPXXCXPTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N2OP/c1-45(2)39-23-13-15-25-43(39)47(49(48,35-18-8-4-9-19-35)36-20-10-5-11-21-36)44-29-27-34(31-40(44)45)46-41-24-14-12-22-37(41)38-30-33(26-28-42(38)46)32-16-6-3-7-17-32/h3-31H,1-2H3.
What are the key properties of 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine?
10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine has a molecular weight of 650.76 g/mol, XLogP of 11.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine is sourced from PubChem (CID 140928529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).