CID 71178605

C15H13BNO2 — CID 71178605

IUPAC—
SMILESO[B]c1cc(-n2ccc3ccccc32)ccc1CO
InChIInChI=1S/C15H13BNO2/c18-10-12-5-6-13(9-14(12)16-19)17-8-7-11-3-1-2-4-15(11)17/h1-9,18-19H,10H2
InChIKeyUXPPFEHWGZYBOB-UHFFFAOYSA-N
MW250.09 g/mol
LogP1.36
Rot. Bonds3

About CID 71178605

CID 71178605 (PubChem CID 71178605) has the molecular formula C15H13BNO2 and a molecular weight of 250.09 g/mol.

Molecular Properties

Compound NameCID 71178605
PubChem CID71178605
Molecular FormulaC15H13BNO2
Molecular Weight250.09 g/mol
Exact Mass250.10
IUPAC Name—
SMILESO[B]c1cc(-n2ccc3ccccc32)ccc1CO
InChIInChI=1S/C15H13BNO2/c18-10-12-5-6-13(9-14(12)16-19)17-8-7-11-3-1-2-4-15(11)17/h1-9,18-19H,10H2
InChIKeyUXPPFEHWGZYBOB-UHFFFAOYSA-N
XLogP1.36
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-(3-indol-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
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1-[4-(chloromethyl)phenyl]indole
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1-(4-chloro-3-fluorophenyl)indole
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[3-(5-fluoroindol-1-yl)phenyl]methanol
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3-indol-1-ylbenzamide;hydrochloride
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4-indol-1-ylbenzamide
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3-(4-indol-1-ylanilino)propane-1,2-diol
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1-(3-bromo-4-methoxyphenyl)indole
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3-indol-1-ylbenzaldehyde
CID 175205647
4-(4-indol-1-yl-2-methylphenyl)-3-methyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 90215964
2-indol-1-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
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9-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-indol-1-ylcarbazole
CID 146933083

Frequently Asked Questions

What is the IUPAC name of CID 71178605?
The IUPAC name of CID 71178605 (CID 71178605) is not available.
What is the SMILES notation for CID 71178605?
The canonical SMILES for CID 71178605 is O[B]c1cc(-n2ccc3ccccc32)ccc1CO.
What is the InChIKey of CID 71178605?
The InChIKey is UXPPFEHWGZYBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BNO2/c18-10-12-5-6-13(9-14(12)16-19)17-8-7-11-3-1-2-4-15(11)17/h1-9,18-19H,10H2.
What are the key properties of CID 71178605?
CID 71178605 has a molecular weight of 250.09 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71178605 is sourced from PubChem (CID 71178605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).