CID 170941910

C34H25BNO2 — CID 170941910

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C34H25BNO2/c37-35-38-30-22-23-34(33(24-30)26-10-3-1-4-11-26)36(28-14-5-2-6-15-28)29-20-18-27(19-21-29)32-17-9-13-25-12-7-8-16-31(25)32/h1-24,37H
InChIKeyXDCZNRDASNGXKH-UHFFFAOYSA-N
MW490.39 g/mol
LogP8.55
Rot. Bonds7

About CID 170941910

CID 170941910 (PubChem CID 170941910) has the molecular formula C34H25BNO2 and a molecular weight of 490.39 g/mol.

Molecular Properties

Compound NameCID 170941910
PubChem CID170941910
Molecular FormulaC34H25BNO2
Molecular Weight490.39 g/mol
Exact Mass490.20
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1
InChIInChI=1S/C34H25BNO2/c37-35-38-30-22-23-34(33(24-30)26-10-3-1-4-11-26)36(28-14-5-2-6-15-28)29-20-18-27(19-21-29)32-17-9-13-25-12-7-8-16-31(25)32/h1-24,37H
InChIKeyXDCZNRDASNGXKH-UHFFFAOYSA-N
XLogP8.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
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Frequently Asked Questions

What is the IUPAC name of CID 170941910?
The IUPAC name of CID 170941910 (CID 170941910) is not available.
What is the SMILES notation for CID 170941910?
The canonical SMILES for CID 170941910 is O[B]Oc1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1.
What is the InChIKey of CID 170941910?
The InChIKey is XDCZNRDASNGXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BNO2/c37-35-38-30-22-23-34(33(24-30)26-10-3-1-4-11-26)36(28-14-5-2-6-15-28)29-20-18-27(19-21-29)32-17-9-13-25-12-7-8-16-31(25)32/h1-24,37H.
What are the key properties of CID 170941910?
CID 170941910 has a molecular weight of 490.39 g/mol, XLogP of 8.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170941910 is sourced from PubChem (CID 170941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).