CID 174134276

C62H25B14N3O — CID 174134276

IUPAC—
SMILES[B]c1c([B])c(-n2c3c([B])c([B])c([B])c([B])c3c3c([B])c4c([B])c([B])c([B])c([B])c4c([B])c32)c([B])c([B])c1-c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(c1)oc1ccccc12
InChIInChI=1S/C62H25B14N3O/c63-45-41-42(49(67)53(71)52(70)48(41)66)51(69)59-43(45)44-50(68)54(72)55(73)58(76)60(44)79(59)61-56(74)46(64)39(47(65)57(61)75)32-23-34(40-33-13-7-8-14-37(33)80-38(40)24-32)36-25-35(30-19-15-28(16-20-30)26-9-3-1-4-10-26)77-62(78-36)31-21-17-29(18-22-31)27-11-5-2-6-12-27/h1-25H
InChIKeyHHBGBVHHYCNTCH-UHFFFAOYSA-N
MW979.27 g/mol
LogP-0.26
Rot. Bonds7

About CID 174134276

CID 174134276 (PubChem CID 174134276) has the molecular formula C62H25B14N3O and a molecular weight of 979.27 g/mol.

Molecular Properties

Compound NameCID 174134276
PubChem CID174134276
Molecular FormulaC62H25B14N3O
Molecular Weight979.27 g/mol
Exact Mass981.33
IUPAC Name—
SMILES[B]c1c([B])c(-n2c3c([B])c([B])c([B])c([B])c3c3c([B])c4c([B])c([B])c([B])c([B])c4c([B])c32)c([B])c([B])c1-c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(c1)oc1ccccc12
InChIInChI=1S/C62H25B14N3O/c63-45-41-42(49(67)53(71)52(70)48(41)66)51(69)59-43(45)44-50(68)54(72)55(73)58(76)60(44)79(59)61-56(74)46(64)39(47(65)57(61)75)32-23-34(40-33-13-7-8-14-37(33)80-38(40)24-32)36-25-35(30-19-15-28(16-20-30)26-9-3-1-4-10-26)77-62(78-36)31-21-17-29(18-22-31)27-11-5-2-6-12-27/h1-25H
InChIKeyHHBGBVHHYCNTCH-UHFFFAOYSA-N
XLogP-0.26
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500979.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 174134276 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 174147439
CID 174147439
CID 174134335
CID 174134335
1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 166974624
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
CID 174103835
CID 174103835
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
CID 171620024
CID 171620024
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
1,3-dimethyl-5-[3-[2-phenyl-6-(3-phenyldibenzofuran-1-yl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485372
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867

Frequently Asked Questions

What is the IUPAC name of CID 174134276?
The IUPAC name of CID 174134276 (CID 174134276) is not available.
What is the SMILES notation for CID 174134276?
The canonical SMILES for CID 174134276 is [B]c1c([B])c(-n2c3c([B])c([B])c([B])c([B])c3c3c([B])c4c([B])c([B])c([B])c([B])c4c([B])c32)c([B])c([B])c1-c1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c(c1)oc1ccccc12.
What is the InChIKey of CID 174134276?
The InChIKey is HHBGBVHHYCNTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H25B14N3O/c63-45-41-42(49(67)53(71)52(70)48(41)66)51(69)59-43(45)44-50(68)54(72)55(73)58(76)60(44)79(59)61-56(74)46(64)39(47(65)57(61)75)32-23-34(40-33-13-7-8-14-37(33)80-38(40)24-32)36-25-35(30-19-15-28(16-20-30)26-9-3-1-4-10-26)77-62(78-36)31-21-17-29(18-22-31)27-11-5-2-6-12-27/h1-25H.
What are the key properties of CID 174134276?
CID 174134276 has a molecular weight of 979.27 g/mol, XLogP of -0.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174134276 is sourced from PubChem (CID 174134276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).