5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide

C45H35N2OP — CID 140898984

IUPAC5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4P(=O)(c4ccccc4)c4ncccc43)cc21
InChIInChI=1S/C45H35N2OP/c1-44(2)36-23-12-14-26-40(36)47(34-19-8-4-9-20-34)41-29-28-33(31-39(41)44)45(32-17-6-3-7-18-32)37-24-13-15-27-42(37)49(48,35-21-10-5-11-22-35)43-38(45)25-16-30-46-43/h3-31H,1-2H3
InChIKeyDSSXCRACTPYVSI-UHFFFAOYSA-N
MW650.76 g/mol
LogP9.53
Rot. Bonds4

About 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide

5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide (PubChem CID 140898984) has the molecular formula C45H35N2OP and a molecular weight of 650.76 g/mol. Its IUPAC name is 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide.

Molecular Properties

Compound Name5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
PubChem CID140898984
Molecular FormulaC45H35N2OP
Molecular Weight650.76 g/mol
Exact Mass650.25
IUPAC Name5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4P(=O)(c4ccccc4)c4ncccc43)cc21
InChIInChI=1S/C45H35N2OP/c1-44(2)36-23-12-14-26-40(36)47(34-19-8-4-9-20-34)41-29-28-33(31-39(41)44)45(32-17-6-3-7-18-32)37-24-13-15-27-42(37)49(48,35-21-10-5-11-22-35)43-38(45)25-16-30-46-43/h3-31H,1-2H3
InChIKeyDSSXCRACTPYVSI-UHFFFAOYSA-N
XLogP9.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.76
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
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
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
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
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
CID 140919817
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452
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

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide?
The IUPAC name of 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide (CID 140898984) is 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide.
What is the SMILES notation for 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide?
The canonical SMILES for 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(c4ccccc4)c4ccccc4P(=O)(c4ccccc4)c4ncccc43)cc21.
What is the InChIKey of 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide?
The InChIKey is DSSXCRACTPYVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N2OP/c1-44(2)36-23-12-14-26-40(36)47(34-19-8-4-9-20-34)41-29-28-33(31-39(41)44)45(32-17-6-3-7-18-32)37-24-13-15-27-42(37)49(48,35-21-10-5-11-22-35)43-38(45)25-16-30-46-43/h3-31H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide?
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide has a molecular weight of 650.76 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide is sourced from PubChem (CID 140898984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).