9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole

C47H35N3O — CID 67819109

IUPAC9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n(-c3ccccc3)c12
InChIInChI=1S/C47H35N3O/c1-47(2,3)39-19-12-20-40-44(39)50(32-13-5-4-6-14-32)46(48-40)30-23-26-33(27-24-30)49-41-21-9-7-15-35(41)38-29-31(25-28-42(38)49)34-17-11-18-37-36-16-8-10-22-43(36)51-45(34)37/h4-29H,1-3H3
InChIKeyVICQPQQUZOMXRZ-UHFFFAOYSA-N
MW657.82 g/mol
LogP12.65
Rot. Bonds4

About 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole

9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole (PubChem CID 67819109) has the molecular formula C47H35N3O and a molecular weight of 657.82 g/mol. Its IUPAC name is 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
PubChem CID67819109
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
SMILESCC(C)(C)c1cccc2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n(-c3ccccc3)c12
InChIInChI=1S/C47H35N3O/c1-47(2,3)39-19-12-20-40-44(39)50(32-13-5-4-6-14-32)46(48-40)30-23-26-33(27-24-30)49-41-21-9-7-15-35(41)38-29-31(25-28-42(38)49)34-17-11-18-37-36-16-8-10-22-43(36)51-45(34)37/h4-29H,1-3H3
InChIKeyVICQPQQUZOMXRZ-UHFFFAOYSA-N
XLogP12.65
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
9-[4-[1-(4-tert-butylphenyl)benzimidazol-2-yl]phenyl]-3-dibenzofuran-4-ylcarbazole;3-dibenzofuran-4-yl-9-[4-[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]carbazole;3-dibenzofuran-4-yl-9-[4-[1-(4-methylphenyl)benzimidazol-2-yl]phenyl]carbazole
CID 161304554
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
3-dibenzofuran-4-yl-9-[3-(6-methyl-1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 67819112
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432

Frequently Asked Questions

What is the IUPAC name of 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole (CID 67819109) is 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole is CC(C)(C)c1cccc2nc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n(-c3ccccc3)c12.
What is the InChIKey of 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
The InChIKey is VICQPQQUZOMXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O/c1-47(2,3)39-19-12-20-40-44(39)50(32-13-5-4-6-14-32)46(48-40)30-23-26-33(27-24-30)49-41-21-9-7-15-35(41)38-29-31(25-28-42(38)49)34-17-11-18-37-36-16-8-10-22-43(36)51-45(34)37/h4-29H,1-3H3.
What are the key properties of 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole?
9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole has a molecular weight of 657.82 g/mol, XLogP of 12.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 67819109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).