2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

C68H55N5O — CID 177093879

IUPAC2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccn5)c4)cccc3n2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C68H55N5O/c1-67(2,3)46-41-55(65(74)56(42-46)68(4,5)6)66-70-62-49(29-19-35-60(62)73(66)61-36-20-32-54-52-28-14-16-34-59(52)72(64(54)61)48-25-11-8-12-26-48)43-21-17-22-45(39-43)57-40-44(37-38-69-57)50-30-18-31-53-51-27-13-15-33-58(51)71(63(50)53)47-23-9-7-10-24-47/h7-42,74H,1-6H3
InChIKeyJZLMEDBEKVPEPY-UHFFFAOYSA-N
MW958.22 g/mol
LogP17.58
Rot. Bonds7

About 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 177093879) has the molecular formula C68H55N5O and a molecular weight of 958.22 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
PubChem CID177093879
Molecular FormulaC68H55N5O
Molecular Weight958.22 g/mol
Exact Mass957.44
IUPAC Name2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccn5)c4)cccc3n2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C68H55N5O/c1-67(2,3)46-41-55(65(74)56(42-46)68(4,5)6)66-70-62-49(29-19-35-60(62)73(66)61-36-20-32-54-52-28-14-16-34-59(52)72(64(54)61)48-25-11-8-12-26-48)43-21-17-22-45(39-43)57-40-44(37-38-69-57)50-30-18-31-53-51-27-13-15-33-58(51)71(63(50)53)47-23-9-7-10-24-47/h7-42,74H,1-6H3
InChIKeyJZLMEDBEKVPEPY-UHFFFAOYSA-N
XLogP17.58
TPSA60.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.22
LogP ≤ 517.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol 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

2,4-ditert-butyl-6-[6-tert-butyl-4-[3-tert-butyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-(5-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177094087
2,4-ditert-butyl-6-[1-(3,5-ditert-butylphenyl)-6-phenyl-4-[3-phenyl-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093680
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140833221
2,4-ditert-butyl-6-[6-(4-tert-butyl-2-phenylphenyl)-4-[3-(4-tert-butyl-2-phenylphenyl)-5-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 177094052
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177093891
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
4-tert-butyl-2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]-6-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)phenol
CID 163769911
2,4-ditert-butyl-6-[1-(4-tert-butyl-2,5-diphenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153477910
2,4-ditert-butyl-6-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140831966
2,4-ditert-butyl-6-[1-(2,6-diphenylphenyl)-4-[3-(4-phenylphenyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 140832886

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 177093879) is 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)ccn5)c4)cccc3n2-c2cccc3c4ccccc4n(-c4ccccc4)c23)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
The InChIKey is JZLMEDBEKVPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55N5O/c1-67(2,3)46-41-55(65(74)56(42-46)68(4,5)6)66-70-62-49(29-19-35-60(62)73(66)61-36-20-32-54-52-28-14-16-34-59(52)72(64(54)61)48-25-11-8-12-26-48)43-21-17-22-45(39-43)57-40-44(37-38-69-57)50-30-18-31-53-51-27-13-15-33-58(51)71(63(50)53)47-23-9-7-10-24-47/h7-42,74H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 958.22 g/mol, XLogP of 17.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 177093879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).