CID 140802541

C18H13BNO — CID 140802541

IUPAC—
SMILESO[B]c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H13BNO/c21-19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12,21H
InChIKeyZRITYFVOVIXXPO-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.02
Rot. Bonds2

About CID 140802541

CID 140802541 (PubChem CID 140802541) has the molecular formula C18H13BNO and a molecular weight of 270.12 g/mol.

Molecular Properties

Compound NameCID 140802541
PubChem CID140802541
Molecular FormulaC18H13BNO
Molecular Weight270.12 g/mol
Exact Mass270.11
IUPAC Name—
SMILESO[B]c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C18H13BNO/c21-19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12,21H
InChIKeyZRITYFVOVIXXPO-UHFFFAOYSA-N
XLogP3.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbazole
CID 6854
Mebhydrolin
CID 22530
2-Phenylindole
CID 13698
3-Amino-9-ethylcarbazole
CID 8588
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
2,3-diphenyl-1H-indole
CID 77020
1-Methyl-2-phenylindole
CID 77095
9H-Carbazole-9-methanol
CID 75480
9-Nitrosocarbazole
CID 17743
1,2,3,4-Tetrahydrocarbazole
CID 13664

Frequently Asked Questions

What is the IUPAC name of CID 140802541?
The IUPAC name of CID 140802541 (CID 140802541) is not available.
What is the SMILES notation for CID 140802541?
The canonical SMILES for CID 140802541 is O[B]c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of CID 140802541?
The InChIKey is ZRITYFVOVIXXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BNO/c21-19-13-6-5-7-14(12-13)20-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20/h1-12,21H.
What are the key properties of CID 140802541?
CID 140802541 has a molecular weight of 270.12 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140802541 is sourced from PubChem (CID 140802541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).