CID 174118953

C34H19B5N2 — CID 174118953

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2c3ccccc3c(-c3cccc(-n4c(C)nc5ccccc54)c3)c3ccccc23)c([B])c1[B]
InChIInChI=1S/C34H19B5N2/c1-18-40-25-15-6-7-16-26(25)41(18)20-10-8-9-19(17-20)27-21-11-2-4-13-23(21)28(24-14-5-3-12-22(24)27)29-30(35)32(37)34(39)33(38)31(29)36/h2-17H,1H3
InChIKeyHOEGAUKXXAYWRA-UHFFFAOYSA-N
MW509.60 g/mol
LogP2.94
Rot. Bonds3

About CID 174118953

CID 174118953 (PubChem CID 174118953) has the molecular formula C34H19B5N2 and a molecular weight of 509.60 g/mol.

Molecular Properties

Compound NameCID 174118953
PubChem CID174118953
Molecular FormulaC34H19B5N2
Molecular Weight509.60 g/mol
Exact Mass510.20
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2c3ccccc3c(-c3cccc(-n4c(C)nc5ccccc54)c3)c3ccccc23)c([B])c1[B]
InChIInChI=1S/C34H19B5N2/c1-18-40-25-15-6-7-16-26(25)41(18)20-10-8-9-19(17-20)27-21-11-2-4-13-23(21)28(24-14-5-3-12-22(24)27)29-30(35)32(37)34(39)33(38)31(29)36/h2-17H,1H3
InChIKeyHOEGAUKXXAYWRA-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174118953 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 174119072
CID 174119072
1-[3-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 170235619
CID 174119147
CID 174119147
CID 174118896
CID 174118896
2-methyl-1-[3-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 169071319
2-methyl-1-[3-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 170236086
2-methyl-1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070458
1-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]-2-(trideuteriomethyl)benzimidazole
CID 169070288
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
2-methyl-1-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070456
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320

Frequently Asked Questions

What is the IUPAC name of CID 174118953?
The IUPAC name of CID 174118953 (CID 174118953) is not available.
What is the SMILES notation for CID 174118953?
The canonical SMILES for CID 174118953 is [B]c1c([B])c([B])c(-c2c3ccccc3c(-c3cccc(-n4c(C)nc5ccccc54)c3)c3ccccc23)c([B])c1[B].
What is the InChIKey of CID 174118953?
The InChIKey is HOEGAUKXXAYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19B5N2/c1-18-40-25-15-6-7-16-26(25)41(18)20-10-8-9-19(17-20)27-21-11-2-4-13-23(21)28(24-14-5-3-12-22(24)27)29-30(35)32(37)34(39)33(38)31(29)36/h2-17H,1H3.
What are the key properties of CID 174118953?
CID 174118953 has a molecular weight of 509.60 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174118953 is sourced from PubChem (CID 174118953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).