CID 174134078

C23H3B15 — CID 174134078

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c3c([B])c([B])c([B])c(-c4c([B])c([B])c(C)c([B])c4[B])c23)c([B])c1[B]
InChIInChI=1S/C23H3B15/c1-2-9(24)13(28)7(14(29)10(2)25)4-3-5(8-17(32)21(36)23(38)22(37)18(8)33)12(27)20(35)16(31)6(3)15(30)19(34)11(4)26/h1H3
InChIKeyPRBWRXMSVJHXCO-UHFFFAOYSA-N
MW441.46 g/mol
LogP-11.61
Rot. Bonds2

About CID 174134078

CID 174134078 (PubChem CID 174134078) has the molecular formula C23H3B15 and a molecular weight of 441.46 g/mol.

Molecular Properties

Compound NameCID 174134078
PubChem CID174134078
Molecular FormulaC23H3B15
Molecular Weight441.46 g/mol
Exact Mass444.16
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c3c([B])c([B])c([B])c(-c4c([B])c([B])c(C)c([B])c4[B])c23)c([B])c1[B]
InChIInChI=1S/C23H3B15/c1-2-9(24)13(28)7(14(29)10(2)25)4-3-5(8-17(32)21(36)23(38)22(37)18(8)33)12(27)20(35)16(31)6(3)15(30)19(34)11(4)26/h1H3
InChIKeyPRBWRXMSVJHXCO-UHFFFAOYSA-N
XLogP-11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 5-11.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174134078?
The IUPAC name of CID 174134078 (CID 174134078) is not available.
What is the SMILES notation for CID 174134078?
The canonical SMILES for CID 174134078 is [B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c3c([B])c([B])c([B])c(-c4c([B])c([B])c(C)c([B])c4[B])c23)c([B])c1[B].
What is the InChIKey of CID 174134078?
The InChIKey is PRBWRXMSVJHXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H3B15/c1-2-9(24)13(28)7(14(29)10(2)25)4-3-5(8-17(32)21(36)23(38)22(37)18(8)33)12(27)20(35)16(31)6(3)15(30)19(34)11(4)26/h1H3.
What are the key properties of CID 174134078?
CID 174134078 has a molecular weight of 441.46 g/mol, XLogP of -11.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174134078 is sourced from PubChem (CID 174134078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).