CID 174098647

C24H24BN — CID 174098647

IUPAC—
SMILES[B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)C(C)CC1CC
InChIInChI=1S/C24H24BN/c1-3-21-15-17(2)24(21,25)22-11-9-18(10-12-22)20-13-14-26-23(16-20)19-7-5-4-6-8-19/h4-14,16-17,21H,3,15H2,1-2H3
InChIKeyWQCMEJWWIGSCTF-UHFFFAOYSA-N
MW337.28 g/mol
LogP5.85
Rot. Bonds4

About CID 174098647

CID 174098647 (PubChem CID 174098647) has the molecular formula C24H24BN and a molecular weight of 337.28 g/mol.

Molecular Properties

Compound NameCID 174098647
PubChem CID174098647
Molecular FormulaC24H24BN
Molecular Weight337.28 g/mol
Exact Mass337.20
IUPAC Name—
SMILES[B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)C(C)CC1CC
InChIInChI=1S/C24H24BN/c1-3-21-15-17(2)24(21,25)22-11-9-18(10-12-22)20-13-14-26-23(16-20)19-7-5-4-6-8-19/h4-14,16-17,21H,3,15H2,1-2H3
InChIKeyWQCMEJWWIGSCTF-UHFFFAOYSA-N
XLogP5.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174098007
CID 174098007
4-[4-(3-deuterio-3-bicyclo[3.1.1]heptanyl)phenyl]-2-phenylpyridine
CID 166564130
4-[4-(cyclohexylmethyl)phenyl]-2-phenylpyridine
CID 129075043
4-(3-ethylphenyl)-2-phenylpyridine
CID 140601349
2-(4-phenylphenyl)-4-(4-propan-2-ylphenyl)pyridine
CID 140599873
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-[4-(2-deuteriopropan-2-yl)phenyl]-2-phenylpyridine
CID 140831627
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611
4-phenyl-2-(3-propylphenyl)pyridine
CID 144632078

Frequently Asked Questions

What is the IUPAC name of CID 174098647?
The IUPAC name of CID 174098647 (CID 174098647) is not available.
What is the SMILES notation for CID 174098647?
The canonical SMILES for CID 174098647 is [B]C1(c2ccc(-c3ccnc(-c4ccccc4)c3)cc2)C(C)CC1CC.
What is the InChIKey of CID 174098647?
The InChIKey is WQCMEJWWIGSCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BN/c1-3-21-15-17(2)24(21,25)22-11-9-18(10-12-22)20-13-14-26-23(16-20)19-7-5-4-6-8-19/h4-14,16-17,21H,3,15H2,1-2H3.
What are the key properties of CID 174098647?
CID 174098647 has a molecular weight of 337.28 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174098647 is sourced from PubChem (CID 174098647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).