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

C40H30N4O — CID 140934381

IUPAC1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4nccc5c4oc4ccccc45)c3)cccc21
InChIInChI=1S/C40H30N4O/c1-40(2,3)44-33-19-10-15-26(37(33)43-39(44)31-17-9-16-29-27-13-4-6-18-32(27)42-36(29)31)24-11-8-12-25(23-24)35-38-30(21-22-41-35)28-14-5-7-20-34(28)45-38/h4-23,42H,1-3H3
InChIKeyXFTMMWKKSHSSRT-UHFFFAOYSA-N
MW582.71 g/mol
LogP10.72
Rot. Bonds3

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

1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 140934381) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID140934381
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC Name1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4nccc5c4oc4ccccc45)c3)cccc21
InChIInChI=1S/C40H30N4O/c1-40(2,3)44-33-19-10-15-26(37(33)43-39(44)31-17-9-16-29-27-13-4-6-18-32(27)42-36(29)31)24-11-8-12-25(23-24)35-38-30(21-22-41-35)28-14-5-7-20-34(28)45-38/h4-23,42H,1-3H3
InChIKeyXFTMMWKKSHSSRT-UHFFFAOYSA-N
XLogP10.72
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 510.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)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-[1-tert-butyl-2-(3,6-ditert-butyl-9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934401
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-methylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934467
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-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934600
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-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
CID 140934353
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
CID 140934482
1-[1-naphthalen-1-yl-4-(4-pyridin-2-yldibenzofuran-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934498
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 176642529

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 140934381) is 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is CC(C)(C)n1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4nccc5c4oc4ccccc45)c3)cccc21.
What is the InChIKey of 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is XFTMMWKKSHSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-40(2,3)44-33-19-10-15-26(37(33)43-39(44)31-17-9-16-29-27-13-4-6-18-32(27)42-36(29)31)24-11-8-12-25(23-24)35-38-30(21-22-41-35)28-14-5-7-20-34(28)45-38/h4-23,42H,1-3H3.
What are the key properties of 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 582.71 g/mol, XLogP of 10.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 140934381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).