CID 174138943

C26H26BN — CID 174138943

IUPAC—
SMILES[B]C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)C(CCC5(C)C)(C)C
InChIInChI=1S/C26H26BN/c1-25(2)13-14-26(3,4)22-16-18(10-11-21(22)25)28-23-8-6-5-7-19(23)20-15-17(27)9-12-24(20)28/h5-12,15-16H,13-14H2,1-4H3
InChIKeyXQRYECCJHCNLAW-UHFFFAOYSA-N
MW363.30 g/mol
LogP—
Rot. Bonds1

About CID 174138943

CID 174138943 (PubChem CID 174138943) has the molecular formula C26H26BN and a molecular weight of 363.30 g/mol.

Molecular Properties

Compound NameCID 174138943
PubChem CID174138943
Molecular FormulaC26H26BN
Molecular Weight363.30 g/mol
Exact Mass363.22
IUPAC Name—
SMILES[B]C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)C(CCC5(C)C)(C)C
InChIInChI=1S/C26H26BN/c1-25(2)13-14-26(3,4)22-16-18(10-11-21(22)25)28-23-8-6-5-7-19(23)20-15-17(27)9-12-24(20)28/h5-12,15-16H,13-14H2,1-4H3
InChIKeyXQRYECCJHCNLAW-UHFFFAOYSA-N
XLogP—
TPSA4.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity583

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
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 174138943?
The IUPAC name of CID 174138943 (CID 174138943) is not available.
What is the SMILES notation for CID 174138943?
The canonical SMILES for CID 174138943 is [B]C1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)C(CCC5(C)C)(C)C.
What is the InChIKey of CID 174138943?
The InChIKey is XQRYECCJHCNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BN/c1-25(2)13-14-26(3,4)22-16-18(10-11-21(22)25)28-23-8-6-5-7-19(23)20-15-17(27)9-12-24(20)28/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of CID 174138943?
CID 174138943 has a molecular weight of 363.30 g/mol, XLogP of not available, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174138943 is sourced from PubChem (CID 174138943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).