5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine

C41H35N2PS — CID 140919817

IUPAC5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)N(c1ccccc1)c1ccccc1P2(=S)c1ccccc1
InChIInChI=1S/C41H35N2PS/c1-28-19-22-35-33(25-28)41(3,4)34-26-29(2)20-23-36(34)43(35)31-21-24-40-38(27-31)42(30-13-7-5-8-14-30)37-17-11-12-18-39(37)44(40,45)32-15-9-6-10-16-32/h5-27H,1-4H3
InChIKeyYJDAVUXEFLWTHR-UHFFFAOYSA-N
MW618.79 g/mol
LogP9.95
Rot. Bonds3

About 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine

5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine (PubChem CID 140919817) has the molecular formula C41H35N2PS and a molecular weight of 618.79 g/mol. Its IUPAC name is 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine.

Molecular Properties

Compound Name5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
PubChem CID140919817
Molecular FormulaC41H35N2PS
Molecular Weight618.79 g/mol
Exact Mass618.23
IUPAC Name5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)N(c1ccccc1)c1ccccc1P2(=S)c1ccccc1
InChIInChI=1S/C41H35N2PS/c1-28-19-22-35-33(25-28)41(3,4)34-26-29(2)20-23-36(34)43(35)31-21-24-40-38(27-31)42(30-13-7-5-8-14-30)37-17-11-12-18-39(37)44(40,45)32-15-9-6-10-16-32/h5-27H,1-4H3
InChIKeyYJDAVUXEFLWTHR-UHFFFAOYSA-N
XLogP9.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.79
LogP ≤ 59.95
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

9,9-dimethyl-10-(10-phenyl-10-sulfanylidenebenzo[b][1,4]benzothiaphosphinin-2-yl)acridine
CID 140919799
4,11,18-trimethyl-8,14-diphenyl-8,14-bis(sulfanylidene)-1-aza-8λ5,14λ5-diphosphapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 139429074
2,9,9-trimethyl-10-[4-[4-(2,9,9-trimethylacridin-10-yl)phenyl]sulfonylphenyl]acridine
CID 132504403
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
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390
5-(9,9-dimethyl-10-phenylacridin-2-yl)-5,10-diphenylphosphinolino[2,3-b]pyridine 10-oxide
CID 140898984
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188

Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine?
The IUPAC name of 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine (CID 140919817) is 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine.
What is the SMILES notation for 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine?
The canonical SMILES for 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)N(c1ccccc1)c1ccccc1P2(=S)c1ccccc1.
What is the InChIKey of 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine?
The InChIKey is YJDAVUXEFLWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N2PS/c1-28-19-22-35-33(25-28)41(3,4)34-26-29(2)20-23-36(34)43(35)31-21-24-40-38(27-31)42(30-13-7-5-8-14-30)37-17-11-12-18-39(37)44(40,45)32-15-9-6-10-16-32/h5-27H,1-4H3.
What are the key properties of 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine?
5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine has a molecular weight of 618.79 g/mol, XLogP of 9.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diphenyl-10-sulfanylidene-3-(2,7,9,9-tetramethylacridin-10-yl)phenophosphazinine is sourced from PubChem (CID 140919817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).