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

C60H46N2O2P2S2 — CID 130396402

IUPAC10-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
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)P(=O)(c2ccccc2)c2ccccc2S3)c2cc3c(cc21)N(c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1S2)c1ccccc1C3(C)C
InChIInChI=1S/C60H46N2O2P2S2/c1-59(2)43-23-11-13-25-47(43)61(39-31-33-57-53(35-39)65(63,41-19-7-5-8-20-41)51-27-15-17-29-55(51)67-57)49-38-46-50(37-45(49)59)62(48-26-14-12-24-44(48)60(46,3)4)40-32-34-58-54(36-40)66(64,42-21-9-6-10-22-42)52-28-16-18-30-56(52)68-58/h5-38H,1-4H3
InChIKeyYGDSQZJJIYCVBE-UHFFFAOYSA-N
MW953.12 g/mol
LogP14.11
Rot. Bonds4

About 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

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 (PubChem CID 130396402) has the molecular formula C60H46N2O2P2S2 and a molecular weight of 953.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID130396402
Molecular FormulaC60H46N2O2P2S2
Molecular Weight953.12 g/mol
Exact Mass952.25
IUPAC Name10-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
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)P(=O)(c2ccccc2)c2ccccc2S3)c2cc3c(cc21)N(c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1S2)c1ccccc1C3(C)C
InChIInChI=1S/C60H46N2O2P2S2/c1-59(2)43-23-11-13-25-47(43)61(39-31-33-57-53(35-39)65(63,41-19-7-5-8-20-41)51-27-15-17-29-55(51)67-57)49-38-46-50(37-45(49)59)62(48-26-14-12-24-44(48)60(46,3)4)40-32-34-58-54(36-40)66(64,42-21-9-6-10-22-42)52-28-16-18-30-56(52)68-58/h5-38H,1-4H3
InChIKeyYGDSQZJJIYCVBE-UHFFFAOYSA-N
XLogP14.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.12
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine
CID 140919799
10-anthracen-9-yl-3-[3-(9,9-dimethylacridin-10-yl)phenyl]benzo[b][1,4]benzothiaphosphinine 10-oxide
CID 153291874
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
CID 140919817
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-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
CID 140898984
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
3-[14-(10,10-dimethyl-5-oxo-5-phenylacridophosphin-3-yl)-[1,4]benzothiazino[2,3-b]phenothiazin-7-yl]-10,10-dimethyl-5-phenylacridophosphine 5-oxide
CID 130396406
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
10-phenyl-2-(3-triphenylen-2-ylphenyl)benzo[b][1,4]benzothiaphosphinine 10-oxide
CID 153291945

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2ccc3c(c2)P(=O)(c2ccccc2)c2ccccc2S3)c2cc3c(cc21)N(c1ccc2c(c1)P(=O)(c1ccccc1)c1ccccc1S2)c1ccccc1C3(C)C.
What is the InChIKey of 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?
The InChIKey is YGDSQZJJIYCVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2O2P2S2/c1-59(2)43-23-11-13-25-47(43)61(39-31-33-57-53(35-39)65(63,41-19-7-5-8-20-41)51-27-15-17-29-55(51)67-57)49-38-46-50(37-45(49)59)62(48-26-14-12-24-44(48)60(46,3)4)40-32-34-58-54(36-40)66(64,42-21-9-6-10-22-42)52-28-16-18-30-56(52)68-58/h5-38H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 953.12 g/mol, XLogP of 14.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130396402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).