CID 88889230

C23H12BNOS — CID 88889230

IUPAC—
SMILES[B]c1sc(-c2ccccc2)c2c1c1cccc3c4ccccc4c(=O)n2c31
InChIInChI=1S/C23H12BNOS/c24-22-18-17-12-6-11-15-14-9-4-5-10-16(14)23(26)25(19(15)17)20(18)21(27-22)13-7-2-1-3-8-13/h1-12H
InChIKeyPEYRLKWVAYVIHZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.72
Rot. Bonds1

About CID 88889230

CID 88889230 (PubChem CID 88889230) has the molecular formula C23H12BNOS and a molecular weight of 361.23 g/mol.

Molecular Properties

Compound NameCID 88889230
PubChem CID88889230
Molecular FormulaC23H12BNOS
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name—
SMILES[B]c1sc(-c2ccccc2)c2c1c1cccc3c4ccccc4c(=O)n2c31
InChIInChI=1S/C23H12BNOS/c24-22-18-17-12-6-11-15-14-9-4-5-10-16(14)23(26)25(19(15)17)20(18)21(27-22)13-7-2-1-3-8-13/h1-12H
InChIKeyPEYRLKWVAYVIHZ-UHFFFAOYSA-N
XLogP4.72
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

CID 88889233
CID 88889233
4-(4-bromophenyl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390441
11-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390332
10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 142451987
1,4,16,28-tetrazadodecacyclo[22.16.2.128,36.02,15.03,12.04,39.06,11.016,42.018,23.027,41.030,35.040,43]tritetraconta-2(15),3(12),6,8,10,13,18,20,22,24(42),25,27(41),30,32,34,36(43),37,39-octadecaene-5,17,29-trione
CID 166768796
5,10-bis(6-phenyldibenzothiophen-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593104
spiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2(14),3(11),4,6,8,12,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
CID 118343951
12,17-diphenylspiro[1-azaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.020,25]heptacosa-2,4,6,8,11,13,15,17,19(27),20,22,24-dodecaene-10,9'-fluorene]-26-one
CID 118343835
10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 146620445
4-methyl-3-phenyl-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 6622992
5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 157298032
15-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 147136611

Frequently Asked Questions

What is the IUPAC name of CID 88889230?
The IUPAC name of CID 88889230 (CID 88889230) is not available.
What is the SMILES notation for CID 88889230?
The canonical SMILES for CID 88889230 is [B]c1sc(-c2ccccc2)c2c1c1cccc3c4ccccc4c(=O)n2c31.
What is the InChIKey of CID 88889230?
The InChIKey is PEYRLKWVAYVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12BNOS/c24-22-18-17-12-6-11-15-14-9-4-5-10-16(14)23(26)25(19(15)17)20(18)21(27-22)13-7-2-1-3-8-13/h1-12H.
What are the key properties of CID 88889230?
CID 88889230 has a molecular weight of 361.23 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88889230 is sourced from PubChem (CID 88889230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).