CID 174119778

C35H23B3N2O — CID 174119778

IUPAC—
SMILES[B]c1c(C)c([B])c(-c2cccc(-c3c4ccccc4c(-n4c(C)nc5ccccc54)c4ccccc34)c2)c([B])c1O
InChIInChI=1S/C35H23B3N2O/c1-19-31(36)30(33(38)35(41)32(19)37)22-11-9-10-21(18-22)29-23-12-3-5-14-25(23)34(26-15-6-4-13-24(26)29)40-20(2)39-27-16-7-8-17-28(27)40/h3-18,41H,1-2H3
InChIKeyZXPJFSNBZVLVBA-UHFFFAOYSA-N
MW520.02 g/mol
LogP5.37
Rot. Bonds3

About CID 174119778

CID 174119778 (PubChem CID 174119778) has the molecular formula C35H23B3N2O and a molecular weight of 520.02 g/mol.

Molecular Properties

Compound NameCID 174119778
PubChem CID174119778
Molecular FormulaC35H23B3N2O
Molecular Weight520.02 g/mol
Exact Mass520.21
IUPAC Name—
SMILES[B]c1c(C)c([B])c(-c2cccc(-c3c4ccccc4c(-n4c(C)nc5ccccc54)c4ccccc34)c2)c([B])c1O
InChIInChI=1S/C35H23B3N2O/c1-19-31(36)30(33(38)35(41)32(19)37)22-11-9-10-21(18-22)29-23-12-3-5-14-25(23)34(26-15-6-4-13-24(26)29)40-20(2)39-27-16-7-8-17-28(27)40/h3-18,41H,1-2H3
InChIKeyZXPJFSNBZVLVBA-UHFFFAOYSA-N
XLogP5.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.02
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze CID 174119778 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 174118953
CID 174118953
1-[10-(3-phenylphenyl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070200
CID 174119072
CID 174119072
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
CID 170236430
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
CID 174119147
CID 174119147

Frequently Asked Questions

What is the IUPAC name of CID 174119778?
The IUPAC name of CID 174119778 (CID 174119778) is not available.
What is the SMILES notation for CID 174119778?
The canonical SMILES for CID 174119778 is [B]c1c(C)c([B])c(-c2cccc(-c3c4ccccc4c(-n4c(C)nc5ccccc54)c4ccccc34)c2)c([B])c1O.
What is the InChIKey of CID 174119778?
The InChIKey is ZXPJFSNBZVLVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23B3N2O/c1-19-31(36)30(33(38)35(41)32(19)37)22-11-9-10-21(18-22)29-23-12-3-5-14-25(23)34(26-15-6-4-13-24(26)29)40-20(2)39-27-16-7-8-17-28(27)40/h3-18,41H,1-2H3.
What are the key properties of CID 174119778?
CID 174119778 has a molecular weight of 520.02 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174119778 is sourced from PubChem (CID 174119778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).