2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine

C39H31N2OP — CID 140928513

IUPAC2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C39H31N2OP/c1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40/h3-27H,1-2H3
InChIKeyZKVPJPKGRHFYCJ-UHFFFAOYSA-N
MW574.66 g/mol
LogP9.49
Rot. Bonds4

About 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine

2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine (PubChem CID 140928513) has the molecular formula C39H31N2OP and a molecular weight of 574.66 g/mol. Its IUPAC name is 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine.

Molecular Properties

Compound Name2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
PubChem CID140928513
Molecular FormulaC39H31N2OP
Molecular Weight574.66 g/mol
Exact Mass574.22
IUPAC Name2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C39H31N2OP/c1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40/h3-27H,1-2H3
InChIKeyZKVPJPKGRHFYCJ-UHFFFAOYSA-N
XLogP9.49
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-diphenylphosphoryl-9,9-dimethyl-2-(3-phenylcarbazol-9-yl)acridine
CID 140928529
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
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
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
CID 140928514
10-(9-diphenylphosphorylcarbazol-3-yl)-9,9-dimethylacridine
CID 140928502
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
CID 163934503
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
2,7-di(carbazol-9-yl)-9,9-dimethyl-10-(4-methylphenyl)sulfonylacridine
CID 134237381
14,14,21-trimethyl-10-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146580601
2,4,7-tri(carbazol-9-yl)-9,9-dimethyl-10-phenylacridine
CID 137469791

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine?
The IUPAC name of 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine (CID 140928513) is 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine.
What is the SMILES notation for 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine?
The canonical SMILES for 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine is CC1(C)c2ccccc2N(P(=O)(c2ccccc2)c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine?
The InChIKey is ZKVPJPKGRHFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N2OP/c1-39(2)33-21-11-14-24-37(33)41(43(42,29-15-5-3-6-16-29)30-17-7-4-8-18-30)38-26-25-28(27-34(38)39)40-35-22-12-9-19-31(35)32-20-10-13-23-36(32)40/h3-27H,1-2H3.
What are the key properties of 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine?
2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine has a molecular weight of 574.66 g/mol, XLogP of 9.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-10-diphenylphosphoryl-9,9-dimethylacridine is sourced from PubChem (CID 140928513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).