16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one

C26H20N2O2S2 — CID 10411760

IUPAC16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one
SMILESCOc1ccc(-c2c3c(nc4sc5c(c24)CC(=S)N(c2ccccc2)C5=O)CCC3)cc1
InChIInChI=1S/C26H20N2O2S2/c1-30-17-12-10-15(11-13-17)22-18-8-5-9-20(18)27-25-23(22)19-14-21(31)28(26(29)24(19)32-25)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3
InChIKeyDVOIAZKJMIOTMI-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.99
Rot. Bonds3

About 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one

16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one (PubChem CID 10411760) has the molecular formula C26H20N2O2S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one.

Molecular Properties

Compound Name16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one
PubChem CID10411760
Molecular FormulaC26H20N2O2S2
Molecular Weight456.59 g/mol
Exact Mass456.10
IUPAC Name16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one
SMILESCOc1ccc(-c2c3c(nc4sc5c(c24)CC(=S)N(c2ccccc2)C5=O)CCC3)cc1
InChIInChI=1S/C26H20N2O2S2/c1-30-17-12-10-15(11-13-17)22-18-8-5-9-20(18)27-25-23(22)19-14-21(31)28(26(29)24(19)32-25)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3
InChIKeyDVOIAZKJMIOTMI-UHFFFAOYSA-N
XLogP5.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one with MolForge

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Related Compounds

16-(4-methoxyphenyl)-5-phenyl-8-thia-3,5,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,9,11(15)-pentaen-6-one
CID 4115989
9-(4-methoxyphenyl)-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
CID 135855684
3-(4-methoxyphenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
CID 3541773
(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
CID 42648256
6-amino-8-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1201903
15-(3,5-dimethylpyrazol-1-yl)-9-(4-methoxyphenyl)-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
CID 990663
9-phenyl-17-thia-2,12,13,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
CID 136679886
6-amino-N-phenyl-8-(4-propan-2-ylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 4600062
9-(4-methoxyphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]quinoline
CID 118467811
4-(4-methoxyphenyl)-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 13010672
1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydroisochromen-3-one
CID 162138090
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266

Frequently Asked Questions

What is the IUPAC name of 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one?
The IUPAC name of 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one (CID 10411760) is 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one.
What is the SMILES notation for 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one?
The canonical SMILES for 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one is COc1ccc(-c2c3c(nc4sc5c(c24)CC(=S)N(c2ccccc2)C5=O)CCC3)cc1.
What is the InChIKey of 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one?
The InChIKey is DVOIAZKJMIOTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S2/c1-30-17-12-10-15(11-13-17)22-18-8-5-9-20(18)27-25-23(22)19-14-21(31)28(26(29)24(19)32-25)16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3.
What are the key properties of 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one?
16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one has a molecular weight of 456.59 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-methoxyphenyl)-5-phenyl-4-sulfanylidene-8-thia-5,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-6-one is sourced from PubChem (CID 10411760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).