CID 173481299

C34H30B2 — CID 173481299

IUPAC—
SMILES[B]c1cc2c3c(c1)C(C)(C)c1ccc4c5c6c(c(c-3c15)C2(C)C)C(C)(C)c1cc([B])cc(c1-6)C4(C)C
InChIInChI=1S/C34H30B2/c1-31(2)17-9-10-18-26-25(17)27-23-19(31)11-15(35)13-21(23)33(5,6)29(27)30-28(26)24-20(32(18,3)4)12-16(36)14-22(24)34(30,7)8/h9-14H,1-8H3
InChIKeyOBUFJGMLUTUAQR-UHFFFAOYSA-N
MW460.24 g/mol
LogP6.32
Rot. Bonds

About CID 173481299

CID 173481299 (PubChem CID 173481299) has the molecular formula C34H30B2 and a molecular weight of 460.24 g/mol.

Molecular Properties

Compound NameCID 173481299
PubChem CID173481299
Molecular FormulaC34H30B2
Molecular Weight460.24 g/mol
Exact Mass460.25
IUPAC Name—
SMILES[B]c1cc2c3c(c1)C(C)(C)c1ccc4c5c6c(c(c-3c15)C2(C)C)C(C)(C)c1cc([B])cc(c1-6)C4(C)C
InChIInChI=1S/C34H30B2/c1-31(2)17-9-10-18-26-25(17)27-23-19(31)11-15(35)13-21(23)33(5,6)29(27)30-28(26)24-20(32(18,3)4)12-16(36)14-22(24)34(30,7)8/h9-14H,1-8H3
InChIKeyOBUFJGMLUTUAQR-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.24
LogP ≤ 56.32
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 173481299?
The IUPAC name of CID 173481299 (CID 173481299) is not available.
What is the SMILES notation for CID 173481299?
The canonical SMILES for CID 173481299 is [B]c1cc2c3c(c1)C(C)(C)c1ccc4c5c6c(c(c-3c15)C2(C)C)C(C)(C)c1cc([B])cc(c1-6)C4(C)C.
What is the InChIKey of CID 173481299?
The InChIKey is OBUFJGMLUTUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30B2/c1-31(2)17-9-10-18-26-25(17)27-23-19(31)11-15(35)13-21(23)33(5,6)29(27)30-28(26)24-20(32(18,3)4)12-16(36)14-22(24)34(30,7)8/h9-14H,1-8H3.
What are the key properties of CID 173481299?
CID 173481299 has a molecular weight of 460.24 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173481299 is sourced from PubChem (CID 173481299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).