CID 174115763

C30H20B2 — CID 174115763

IUPAC—
SMILES[B]c1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2[B])cc1-c1ccccc1
InChIInChI=1S/C30H20B2/c31-29-17-9-7-15-23(29)27-20-26(22-13-5-2-6-14-22)28(24-16-8-10-18-30(24)32)19-25(27)21-11-3-1-4-12-21/h1-20H
InChIKeyKTSMXGOGYJFNBU-UHFFFAOYSA-N
MW402.11 g/mol
LogP5.94
Rot. Bonds4

About CID 174115763

CID 174115763 (PubChem CID 174115763) has the molecular formula C30H20B2 and a molecular weight of 402.11 g/mol.

Molecular Properties

Compound NameCID 174115763
PubChem CID174115763
Molecular FormulaC30H20B2
Molecular Weight402.11 g/mol
Exact Mass402.18
IUPAC Name—
SMILES[B]c1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2[B])cc1-c1ccccc1
InChIInChI=1S/C30H20B2/c31-29-17-9-7-15-23(29)27-20-26(22-13-5-2-6-14-22)28(24-16-8-10-18-30(24)32)19-25(27)21-11-3-1-4-12-21/h1-20H
InChIKeyKTSMXGOGYJFNBU-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.11
LogP ≤ 55.94
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 174115763?
The IUPAC name of CID 174115763 (CID 174115763) is not available.
What is the SMILES notation for CID 174115763?
The canonical SMILES for CID 174115763 is [B]c1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2[B])cc1-c1ccccc1.
What is the InChIKey of CID 174115763?
The InChIKey is KTSMXGOGYJFNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20B2/c31-29-17-9-7-15-23(29)27-20-26(22-13-5-2-6-14-22)28(24-16-8-10-18-30(24)32)19-25(27)21-11-3-1-4-12-21/h1-20H.
What are the key properties of CID 174115763?
CID 174115763 has a molecular weight of 402.11 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174115763 is sourced from PubChem (CID 174115763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).