9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine

C33H26NPS2 — CID 140919799

IUPAC9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)P(=S)(c2ccccc2)c2ccccc2S3)c2ccccc21
InChIInChI=1S/C33H26NPS2/c1-33(2)25-14-6-8-16-27(25)34(28-17-9-7-15-26(28)33)23-20-21-32-30(22-23)35(36,24-12-4-3-5-13-24)29-18-10-11-19-31(29)37-32/h3-22H,1-2H3
InChIKeyZZGJXVJWCVDCEY-UHFFFAOYSA-N
MW531.69 g/mol
LogP8.02
Rot. Bonds2

About 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine

9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine (PubChem CID 140919799) has the molecular formula C33H26NPS2 and a molecular weight of 531.69 g/mol. Its IUPAC name is 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine.

Molecular Properties

Compound Name9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine
PubChem CID140919799
Molecular FormulaC33H26NPS2
Molecular Weight531.69 g/mol
Exact Mass531.12
IUPAC Name9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)P(=S)(c2ccccc2)c2ccccc2S3)c2ccccc21
InChIInChI=1S/C33H26NPS2/c1-33(2)25-14-6-8-16-27(25)34(28-17-9-7-15-26(28)33)23-20-21-32-30(22-23)35(36,24-12-4-3-5-13-24)29-18-10-11-19-31(29)37-32/h3-22H,1-2H3
InChIKeyZZGJXVJWCVDCEY-UHFFFAOYSA-N
XLogP8.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.69
LogP ≤ 58.02
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-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
5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
CID 140919817
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
CID 153150378
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)-9,9-dimethylacridine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenothiazine;10-(5',5'-diphenylspiro[benzo[b][1,4]benzothiasiline-10,10'-silanthrene]-2'-yl)phenoxazine
CID 160939064
10-anthracen-9-yl-3-[3-(9,9-dimethylacridin-10-yl)phenyl]benzo[b][1,4]benzothiaphosphinine 10-oxide
CID 153291874
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
9,9-dimethyl-3-phenothiazin-10-ylthioxanthene 10,10-dioxide
CID 130397699
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine?
The IUPAC name of 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine (CID 140919799) is 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine.
What is the SMILES notation for 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine?
The canonical SMILES for 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine is CC1(C)c2ccccc2N(c2ccc3c(c2)P(=S)(c2ccccc2)c2ccccc2S3)c2ccccc21.
What is the InChIKey of 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine?
The InChIKey is ZZGJXVJWCVDCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26NPS2/c1-33(2)25-14-6-8-16-27(25)34(28-17-9-7-15-26(28)33)23-20-21-32-30(22-23)35(36,24-12-4-3-5-13-24)29-18-10-11-19-31(29)37-32/h3-22H,1-2H3.
What are the key properties of 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine?
9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine has a molecular weight of 531.69 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine is sourced from PubChem (CID 140919799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).