5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one

C78H56N2O4P2 — CID 157373920

IUPAC5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one
SMILESCC1(C)c2ccccc2N(c2ccc(P3(=O)c4ccccc4C(=O)c4ccccc43)cc2)c2ccccc21.O=C1c2ccccc2P(=O)(c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccccc21
InChIInChI=1S/C44H30NO2P.C34H26NO2P/c46-43-35-19-7-13-25-41(35)48(47,42-26-14-8-20-36(42)43)34-29-27-33(28-30-34)45-39-23-11-9-21-37(39)44(31-15-3-1-4-16-31,32-17-5-2-6-18-32)38-22-10-12-24-40(38)45;1-34(2)27-13-5-7-15-29(27)35(30-16-8-6-14-28(30)34)23-19-21-24(22-20-23)38(37)31-17-9-3-11-25(31)33(36)26-12-4-10-18-32(26)38/h1-30H;3-22H,1-2H3
InChIKeyBKCBVHGHMQAZTG-UHFFFAOYSA-N
MW1147.26 g/mol
LogP16.02
Rot. Bonds6

About 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one

5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one (PubChem CID 157373920) has the molecular formula C78H56N2O4P2 and a molecular weight of 1147.26 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one.

Molecular Properties

Compound Name5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one
PubChem CID157373920
Molecular FormulaC78H56N2O4P2
Molecular Weight1147.26 g/mol
Exact Mass1146.37
IUPAC Name5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one
SMILESCC1(C)c2ccccc2N(c2ccc(P3(=O)c4ccccc4C(=O)c4ccccc43)cc2)c2ccccc21.O=C1c2ccccc2P(=O)(c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccccc21
InChIInChI=1S/C44H30NO2P.C34H26NO2P/c46-43-35-19-7-13-25-41(35)48(47,42-26-14-8-20-36(42)43)34-29-27-33(28-30-34)45-39-23-11-9-21-37(39)44(31-15-3-1-4-16-31,32-17-5-2-6-18-32)38-22-10-12-24-40(38)45;1-34(2)27-13-5-7-15-29(27)35(30-16-8-6-14-28(30)34)23-19-21-24(22-20-23)38(37)31-17-9-3-11-25(31)33(36)26-12-4-10-18-32(26)38/h1-30H;3-22H,1-2H3
InChIKeyBKCBVHGHMQAZTG-UHFFFAOYSA-N
XLogP16.02
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.26
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one with MolForge

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Related Compounds

10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
CID 140898984
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
10-phenyl-2-[7,7,14,14-tetramethyl-5-(10-oxo-10-phenylbenzo[b][1,4]benzothiaphosphinin-2-yl)quinolino[2,3-b]acridin-12-yl]benzo[b][1,4]benzothiaphosphinine 10-oxide
CID 130396402
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-(2,7-dimethylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-5,5-diphenylbenzo[b][1,4]benzothiaphosphinine 10-oxide
CID 139305201
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
CID 134317366
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one?
The IUPAC name of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one (CID 157373920) is 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one.
What is the SMILES notation for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one?
The canonical SMILES for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one is CC1(C)c2ccccc2N(c2ccc(P3(=O)c4ccccc4C(=O)c4ccccc43)cc2)c2ccccc21.O=C1c2ccccc2P(=O)(c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccccc21.
What is the InChIKey of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one?
The InChIKey is BKCBVHGHMQAZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30NO2P.C34H26NO2P/c46-43-35-19-7-13-25-41(35)48(47,42-26-14-8-20-36(42)43)34-29-27-33(28-30-34)45-39-23-11-9-21-37(39)44(31-15-3-1-4-16-31,32-17-5-2-6-18-32)38-22-10-12-24-40(38)45;1-34(2)27-13-5-7-15-29(27)35(30-16-8-6-14-28(30)34)23-19-21-24(22-20-23)38(37)31-17-9-3-11-25(31)33(36)26-12-4-10-18-32(26)38/h1-30H;3-22H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one?
5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one has a molecular weight of 1147.26 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one;5-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-oxoacridophosphin-10-one is sourced from PubChem (CID 157373920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).