2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one

C32H19NO3S — CID 167054615

IUPAC2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one
SMILESO=C(c1ccccc1)c1cc2c(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3oc2cc1S
InChIInChI=1S/C32H19NO3S/c34-30(19-9-2-1-3-10-19)24-17-23-28(18-29(24)37)36-32-22(31(23)35)13-8-16-27(32)33-25-14-6-4-11-20(25)21-12-5-7-15-26(21)33/h1-18,37H
InChIKeyQDYRHXSZGWVWOB-UHFFFAOYSA-N
MW497.58 g/mol
LogP7.56
Rot. Bonds3

About 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one

2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one (PubChem CID 167054615) has the molecular formula C32H19NO3S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one.

Molecular Properties

Compound Name2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one
PubChem CID167054615
Molecular FormulaC32H19NO3S
Molecular Weight497.58 g/mol
Exact Mass497.11
IUPAC Name2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one
SMILESO=C(c1ccccc1)c1cc2c(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3oc2cc1S
InChIInChI=1S/C32H19NO3S/c34-30(19-9-2-1-3-10-19)24-17-23-28(18-29(24)37)36-32-22(31(23)35)13-8-16-27(32)33-25-14-6-4-11-20(25)21-12-5-7-15-26(21)33/h1-18,37H
InChIKeyQDYRHXSZGWVWOB-UHFFFAOYSA-N
XLogP7.56
TPSA52.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
1-carbazol-9-yl-12,14-dioxochromeno[3,2-b]xanthene-8-carbonitrile
CID 164765308
4-(3,6-dipyridin-4-ylcarbazol-9-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765230
9-(18-pyrido[3,4-b]indol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)pyrido[3,4-b]indole
CID 59147045
6-carbazol-9-yl-23-oxaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(20),2(7),3,5,8,10,12,14,16,18,21,24,26,28,31-pentadecaen-30-one
CID 134428388
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 169010985
5-phenyl-3-(11-phenylindolo[2,3-a]carbazol-12-yl)xanthen-9-one
CID 146176130
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-carbazol-9-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)chromeno[2,3-b]xanthene-7,14-dione
CID 164765324

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one?
The IUPAC name of 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one (CID 167054615) is 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one.
What is the SMILES notation for 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one?
The canonical SMILES for 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one is O=C(c1ccccc1)c1cc2c(=O)c3cccc(-n4c5ccccc5c5ccccc54)c3oc2cc1S.
What is the InChIKey of 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one?
The InChIKey is QDYRHXSZGWVWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO3S/c34-30(19-9-2-1-3-10-19)24-17-23-28(18-29(24)37)36-32-22(31(23)35)13-8-16-27(32)33-25-14-6-4-11-20(25)21-12-5-7-15-26(21)33/h1-18,37H.
What are the key properties of 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one?
2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one has a molecular weight of 497.58 g/mol, XLogP of 7.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-carbazol-9-yl-3-sulfanylxanthen-9-one is sourced from PubChem (CID 167054615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).