1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

C56H46N4O — CID 140934600

IUPAC1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4-c4ccccc4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C56H46N4O/c1-55(2,3)37-26-27-46-43(31-37)44-32-38(56(4,5)6)33-45(51(44)58-46)54-59-52-40(22-15-24-48(52)60(54)47-23-12-10-20-39(47)34-16-8-7-9-17-34)35-18-14-19-36(30-35)50-53-42(28-29-57-50)41-21-11-13-25-49(41)61-53/h7-33,58H,1-6H3
InChIKeyBIQDLXUEKPYPSO-UHFFFAOYSA-N
MW791.01 g/mol
LogP15.22
Rot. Bonds5

About 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 140934600) has the molecular formula C56H46N4O and a molecular weight of 791.01 g/mol. Its IUPAC name is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID140934600
Molecular FormulaC56H46N4O
Molecular Weight791.01 g/mol
Exact Mass790.37
IUPAC Name1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4-c4ccccc4)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C56H46N4O/c1-55(2,3)37-26-27-46-43(31-37)44-32-38(56(4,5)6)33-45(51(44)58-46)54-59-52-40(22-15-24-48(52)60(54)47-23-12-10-20-39(47)34-16-8-7-9-17-34)35-18-14-19-36(30-35)50-53-42(28-29-57-50)41-21-11-13-25-49(41)61-53/h7-33,58H,1-6H3
InChIKeyBIQDLXUEKPYPSO-UHFFFAOYSA-N
XLogP15.22
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 515.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine 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

1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934132
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934309
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-naphthalen-1-ylbenzimidazol-4-yl]-5-phenylphenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934313
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-methylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934467
1-[3-[1-tert-butyl-2-(3,6-ditert-butyl-9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934401
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
2,4-ditert-butyl-6-[4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162782855
2-[4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162784295
3,6-ditert-butyl-1-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 140934600) is 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1ccc2[nH]c3c(-c4nc5c(-c6cccc(-c7nccc8c7oc7ccccc78)c6)cccc5n4-c4ccccc4-c4ccccc4)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BIQDLXUEKPYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4O/c1-55(2,3)37-26-27-46-43(31-37)44-32-38(56(4,5)6)33-45(51(44)58-46)54-59-52-40(22-15-24-48(52)60(54)47-23-12-10-20-39(47)34-16-8-7-9-17-34)35-18-14-19-36(30-35)50-53-42(28-29-57-50)41-21-11-13-25-49(41)61-53/h7-33,58H,1-6H3.
What are the key properties of 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 791.01 g/mol, XLogP of 15.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 140934600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).