CID 152782904

C24H14BNS — CID 152782904

IUPAC—
SMILES[B]c1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C24H14BNS/c25-19-14-18-16-10-5-7-13-21(16)27-24(18)23-22(19)17-11-4-6-12-20(17)26(23)15-8-2-1-3-9-15/h1-14H
InChIKeyXGXTWJGIEBLKCT-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.95
Rot. Bonds1

About CID 152782904

CID 152782904 (PubChem CID 152782904) has the molecular formula C24H14BNS and a molecular weight of 359.26 g/mol.

Molecular Properties

Compound NameCID 152782904
PubChem CID152782904
Molecular FormulaC24H14BNS
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name—
SMILES[B]c1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C24H14BNS/c25-19-14-18-16-10-5-7-13-21(16)27-24(18)23-22(19)17-11-4-6-12-20(17)26(23)15-8-2-1-3-9-15/h1-14H
InChIKeyXGXTWJGIEBLKCT-UHFFFAOYSA-N
XLogP5.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-phenyl-5-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 134530248
CID 145306738
CID 145306738
9-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827905
3,12-diphenyl-22-thia-3,12-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(13),2(10),4,6,8,14,16,18,20,23-decaen-11-one
CID 155152536
5-(9-phenylcarbazol-3-yl)-12-(3-phenylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 134530228
12-phenyl-5-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 160860799
9-(4-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828100
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815
dibenzothiophene;9-phenylcarbazole
CID 142415981
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 122365365
9-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828611

Frequently Asked Questions

What is the IUPAC name of CID 152782904?
The IUPAC name of CID 152782904 (CID 152782904) is not available.
What is the SMILES notation for CID 152782904?
The canonical SMILES for CID 152782904 is [B]c1cc2c3ccccc3sc2c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of CID 152782904?
The InChIKey is XGXTWJGIEBLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BNS/c25-19-14-18-16-10-5-7-13-21(16)27-24(18)23-22(19)17-11-4-6-12-20(17)26(23)15-8-2-1-3-9-15/h1-14H.
What are the key properties of CID 152782904?
CID 152782904 has a molecular weight of 359.26 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 152782904 is sourced from PubChem (CID 152782904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).