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

C52H38N4O — CID 140934132

IUPAC1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5nccc6c5oc5ccccc56)c4)cccc3n2-c2ccccc2-c2ccccc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C52H38N4O/c1-52(2,3)35-30-41-38-20-7-10-23-43(38)54-48(41)42(31-35)51-55-49-37(22-14-25-45(49)56(51)44-24-11-8-19-36(44)32-15-5-4-6-16-32)33-17-13-18-34(29-33)47-50-40(27-28-53-47)39-21-9-12-26-46(39)57-50/h4-31,54H,1-3H3
InChIKeyBIWOPGWMIHSBBM-UHFFFAOYSA-N
MW734.90 g/mol
LogP13.92
Rot. Bonds5

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

1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 140934132) has the molecular formula C52H38N4O and a molecular weight of 734.90 g/mol. Its IUPAC name is 1-[3-[2-(3-tert-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-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID140934132
Molecular FormulaC52H38N4O
Molecular Weight734.90 g/mol
Exact Mass734.30
IUPAC Name1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESCC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5nccc6c5oc5ccccc56)c4)cccc3n2-c2ccccc2-c2ccccc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C52H38N4O/c1-52(2,3)35-30-41-38-20-7-10-23-43(38)54-48(41)42(31-35)51-55-49-37(22-14-25-45(49)56(51)44-24-11-8-19-36(44)32-15-5-4-6-16-32)33-17-13-18-34(29-33)47-50-40(27-28-53-47)39-21-9-12-26-46(39)57-50/h4-31,54H,1-3H3
InChIKeyBIWOPGWMIHSBBM-UHFFFAOYSA-N
XLogP13.92
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
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
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-(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
3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-tert-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-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 140934132) is 1-[3-[2-(3-tert-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-tert-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-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is CC(C)(C)c1cc(-c2nc3c(-c4cccc(-c5nccc6c5oc5ccccc56)c4)cccc3n2-c2ccccc2-c2ccccc2)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is BIWOPGWMIHSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O/c1-52(2,3)35-30-41-38-20-7-10-23-43(38)54-48(41)42(31-35)51-55-49-37(22-14-25-45(49)56(51)44-24-11-8-19-36(44)32-15-5-4-6-16-32)33-17-13-18-34(29-33)47-50-40(27-28-53-47)39-21-9-12-26-46(39)57-50/h4-31,54H,1-3H3.
What are the key properties of 1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 734.90 g/mol, XLogP of 13.92, 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-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 140934132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).