2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane

C69H61BrN8O2 — CID 160810731

IUPAC2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
SMILESBrc1cccc(-n2cnc3ccccc32)c1.C.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1
InChIInChI=1S/C34H28N4O.C21H20N2O.C13H9BrN2.CH4/c1-34(2,3)23-17-18-35-33(19-23)38-30-13-6-4-11-27(30)28-16-15-26(21-32(28)38)39-25-10-8-9-24(20-25)37-22-36-29-12-5-7-14-31(29)37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16;/h4-22H,1-3H3;4-13,24H,1-3H3;1-9H;1H4
InChIKeySEGZTSTXCYGYSC-UHFFFAOYSA-N
MW1114.21 g/mol
LogP18.21
Rot. Bonds6

About 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane

2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane (PubChem CID 160810731) has the molecular formula C69H61BrN8O2 and a molecular weight of 1114.21 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
PubChem CID160810731
Molecular FormulaC69H61BrN8O2
Molecular Weight1114.21 g/mol
Exact Mass1112.41
IUPAC Name2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane
SMILESBrc1cccc(-n2cnc3ccccc32)c1.C.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1
InChIInChI=1S/C34H28N4O.C21H20N2O.C13H9BrN2.CH4/c1-34(2,3)23-17-18-35-33(19-23)38-30-13-6-4-11-27(30)28-16-15-26(21-32(28)38)39-25-10-8-9-24(20-25)37-22-36-29-12-5-7-14-31(29)37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16;/h4-22H,1-3H3;4-13,24H,1-3H3;1-9H;1H4
InChIKeySEGZTSTXCYGYSC-UHFFFAOYSA-N
XLogP18.21
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001114.21
LogP ≤ 518.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane 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-(benzimidazol-1-yl)-5-carbazol-9-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 148690456
9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
CID 169289244
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-[2-[2-[3-(benzimidazol-1-yl)-5-tert-butylphenoxy]carbazol-9-yl]-4-pyridinyl]-1,8-dimethylcarbazole
CID 171769181
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(trideuteriomethyl)benzimidazol-3-ium-1-yl]phenoxy]carbazole iodide
CID 137364561
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methyl-5-phenoxyimidazol-3-ium-1-yl)phenoxy]carbazole;platinum(2+)
CID 175822532
2-[3-(benzimidazol-1-yl)phenoxy]-9-[4-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 163609872
2-[3-(benzimidazol-1-yl)phenoxy]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazole;1-(3-bromophenyl)benzimidazole;2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]-1H-carbazol-1-ide;2-[3-[3-(3,5-ditert-butylphenyl)benzimidazol-3-ium-1-yl]phenoxy]-9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazole;9-[4-[2-(3,5-ditert-butylphenyl)propan-2-yl]-2-pyridinyl]carbazol-2-ol;(3,5-ditert-butylphenyl)-(2,4,6-trimethylphenyl)iodanium;platinum
CID 162267573
3-tert-butyl-5-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289194
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]carbazole
CID 154483088
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane?
The IUPAC name of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane (CID 160810731) is 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane.
What is the SMILES notation for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane?
The canonical SMILES for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane is Brc1cccc(-n2cnc3ccccc32)c1.C.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(O)cc32)c1.CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cnc6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane?
The InChIKey is SEGZTSTXCYGYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N4O.C21H20N2O.C13H9BrN2.CH4/c1-34(2,3)23-17-18-35-33(19-23)38-30-13-6-4-11-27(30)28-16-15-26(21-32(28)38)39-25-10-8-9-24(20-25)37-22-36-29-12-5-7-14-31(29)37;1-21(2,3)14-10-11-22-20(12-14)23-18-7-5-4-6-16(18)17-9-8-15(24)13-19(17)23;14-10-4-3-5-11(8-10)16-9-15-12-6-1-2-7-13(12)16;/h4-22H,1-3H3;4-13,24H,1-3H3;1-9H;1H4.
What are the key properties of 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane?
2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane has a molecular weight of 1114.21 g/mol, XLogP of 18.21, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole;1-(3-bromophenyl)benzimidazole;9-(4-tert-butyl-2-pyridinyl)carbazol-2-ol;methane is sourced from PubChem (CID 160810731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).