2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole

C48H38B2N4O — CID 153276357

IUPAC2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole
SMILESCc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c1cc(Oc1ccc3c4ccccc4n(-c4ccccn4)c3c1)cc2-n1cccn1
InChIInChI=1S/C48H38B2N4O/c1-31-14-11-15-32(2)46(31)49-39-19-6-7-20-40(39)50(47-33(3)16-12-17-34(47)4)48-41(49)28-36(30-44(48)53-27-13-26-52-53)55-35-23-24-38-37-18-5-8-21-42(37)54(43(38)29-35)45-22-9-10-25-51-45/h5-30H,1-4H3
InChIKeyAARNDDRNFUYIPS-UHFFFAOYSA-N
MW708.48 g/mol
LogP6.74
Rot. Bonds6

About 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole

2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole (PubChem CID 153276357) has the molecular formula C48H38B2N4O and a molecular weight of 708.48 g/mol. Its IUPAC name is 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole
PubChem CID153276357
Molecular FormulaC48H38B2N4O
Molecular Weight708.48 g/mol
Exact Mass708.32
IUPAC Name2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole
SMILESCc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c1cc(Oc1ccc3c4ccccc4n(-c4ccccn4)c3c1)cc2-n1cccn1
InChIInChI=1S/C48H38B2N4O/c1-31-14-11-15-32(2)46(31)49-39-19-6-7-20-40(39)50(47-33(3)16-12-17-34(47)4)48-41(49)28-36(30-44(48)53-27-13-26-52-53)55-35-23-24-38-37-18-5-8-21-42(37)54(43(38)29-35)45-22-9-10-25-51-45/h5-30H,1-4H3
InChIKeyAARNDDRNFUYIPS-UHFFFAOYSA-N
XLogP6.74
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.48
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole 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

2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[(2-propan-2-yl-6-pyrazol-1-yl-4-pyridinyl)oxy]-9-pyridin-2-ylcarbazole
CID 155675531
2-[[4-pyrazol-1-yl-3-(2,3,4-trimethylphenyl)-2-pyridinyl]oxy]-9-pyridin-2-ylcarbazole
CID 169096028
4-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-8-(2,6-dimethylphenyl)-14-methyl-1,14-diaza-8-boratetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),10,12-hexaene
CID 155616618
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-[3-(5,6-dimethyl-3-phenyl-2H-benzimidazol-1-yl)-5-methylphenoxy]-9-pyridin-2-ylcarbazole
CID 155606559
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-[[5,10-bis(2,6-dimethylphenyl)-3-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-boranthren-2-id-1-yl]oxy]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
CID 153276298
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
6-[2,6-di(propan-2-yl)phenyl]-5-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxybenzimidazolo[1,2-c][1,3,2]benzodiazaborinine
CID 155616057
2-[3-(3,5-dimethyl-4-pyridin-2-ylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 140729894

Frequently Asked Questions

What is the IUPAC name of 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole (CID 153276357) is 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole is Cc1cccc(C)c1B1c2ccccc2B(c2c(C)cccc2C)c2c1cc(Oc1ccc3c4ccccc4n(-c4ccccn4)c3c1)cc2-n1cccn1.
What is the InChIKey of 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole?
The InChIKey is AARNDDRNFUYIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38B2N4O/c1-31-14-11-15-32(2)46(31)49-39-19-6-7-20-40(39)50(47-33(3)16-12-17-34(47)4)48-41(49)28-36(30-44(48)53-27-13-26-52-53)55-35-23-24-38-37-18-5-8-21-42(37)54(43(38)29-35)45-22-9-10-25-51-45/h5-30H,1-4H3.
What are the key properties of 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole?
2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole has a molecular weight of 708.48 g/mol, XLogP of 6.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,10-bis(2,6-dimethylphenyl)-4-pyrazol-1-ylboranthren-2-yl]oxy-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 153276357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).