CID 146717343

C30H18BNS — CID 146717343

IUPAC—
SMILES[B]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12
InChIInChI=1S/C30H18BNS/c31-25-17-20(18-29-30(25)23-11-5-7-13-28(23)33-29)19-14-15-27-24(16-19)22-10-4-6-12-26(22)32(27)21-8-2-1-3-9-21/h1-18H
InChIKeyZBHZOASWNLFFGB-UHFFFAOYSA-N
MW435.36 g/mol
LogP7.61
Rot. Bonds2

About CID 146717343

CID 146717343 (PubChem CID 146717343) has the molecular formula C30H18BNS and a molecular weight of 435.36 g/mol.

Molecular Properties

Compound NameCID 146717343
PubChem CID146717343
Molecular FormulaC30H18BNS
Molecular Weight435.36 g/mol
Exact Mass435.13
IUPAC Name—
SMILES[B]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12
InChIInChI=1S/C30H18BNS/c31-25-17-20(18-29-30(25)23-11-5-7-13-28(23)33-29)19-14-15-27-24(16-19)22-10-4-6-12-26(22)32(27)21-8-2-1-3-9-21/h1-18H
InChIKeyZBHZOASWNLFFGB-UHFFFAOYSA-N
XLogP7.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 57.61
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

9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazole
CID 158654712
3-(1-methyldibenzothiophen-3-yl)-9-phenylcarbazole
CID 147051964
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
12-phenyl-7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530318
10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
14-phenyl-18-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 122593675
2,7-bis(9-phenylcarbazol-3-yl)thioxanthen-9-one
CID 167425338

Frequently Asked Questions

What is the IUPAC name of CID 146717343?
The IUPAC name of CID 146717343 (CID 146717343) is not available.
What is the SMILES notation for CID 146717343?
The canonical SMILES for CID 146717343 is [B]c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc2sc3ccccc3c12.
What is the InChIKey of CID 146717343?
The InChIKey is ZBHZOASWNLFFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BNS/c31-25-17-20(18-29-30(25)23-11-5-7-13-28(23)33-29)19-14-15-27-24(16-19)22-10-4-6-12-26(22)32(27)21-8-2-1-3-9-21/h1-18H.
What are the key properties of CID 146717343?
CID 146717343 has a molecular weight of 435.36 g/mol, XLogP of 7.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146717343 is sourced from PubChem (CID 146717343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).