CID 173487143

C24H28B2 — CID 173487143

IUPAC—
SMILES[B]c1c(C)c(C)c([B])c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12
InChIInChI=1S/C24H28B2/c1-7-15-16(8-2)18(10-4)20-12-22-21(11-19(20)17(15)9-3)23(25)13(5)14(6)24(22)26/h11-12H,7-10H2,1-6H3
InChIKeyRXSVOONKWKNCIK-UHFFFAOYSA-N
MW338.11 g/mol
LogP4.45
Rot. Bonds4

About CID 173487143

CID 173487143 (PubChem CID 173487143) has the molecular formula C24H28B2 and a molecular weight of 338.11 g/mol.

Molecular Properties

Compound NameCID 173487143
PubChem CID173487143
Molecular FormulaC24H28B2
Molecular Weight338.11 g/mol
Exact Mass338.24
IUPAC Name—
SMILES[B]c1c(C)c(C)c([B])c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12
InChIInChI=1S/C24H28B2/c1-7-15-16(8-2)18(10-4)20-12-22-21(11-19(20)17(15)9-3)23(25)13(5)14(6)24(22)26/h11-12H,7-10H2,1-6H3
InChIKeyRXSVOONKWKNCIK-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173487143?
The IUPAC name of CID 173487143 (CID 173487143) is not available.
What is the SMILES notation for CID 173487143?
The canonical SMILES for CID 173487143 is [B]c1c(C)c(C)c([B])c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12.
What is the InChIKey of CID 173487143?
The InChIKey is RXSVOONKWKNCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28B2/c1-7-15-16(8-2)18(10-4)20-12-22-21(11-19(20)17(15)9-3)23(25)13(5)14(6)24(22)26/h11-12H,7-10H2,1-6H3.
What are the key properties of CID 173487143?
CID 173487143 has a molecular weight of 338.11 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173487143 is sourced from PubChem (CID 173487143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).