5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole

C55H36N4O — CID 146334027

IUPAC5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole
SMILESc1ccc(N2c3ccccc3NC2c2ccc(-c3cccc4oc5c(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-3-15-37(16-4-1)57-46-24-10-7-19-40(46)43-34-51-44(33-50(43)57)41-20-8-11-25-47(41)59(51)49-27-13-22-42-53-39(21-14-28-52(53)60-54(42)49)35-29-31-36(32-30-35)55-56-45-23-9-12-26-48(45)58(55)38-17-5-2-6-18-38/h1-34,55-56H
InChIKeyVRSNDSIEEOAIMI-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.71
Rot. Bonds5

About 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole

5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole (PubChem CID 146334027) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole
PubChem CID146334027
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole
SMILESc1ccc(N2c3ccccc3NC2c2ccc(-c3cccc4oc5c(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cccc5c34)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-3-15-37(16-4-1)57-46-24-10-7-19-40(46)43-34-51-44(33-50(43)57)41-20-8-11-25-47(41)59(51)49-27-13-22-42-53-39(21-14-28-52(53)60-54(42)49)35-29-31-36(32-30-35)55-56-45-23-9-12-26-48(45)58(55)38-17-5-2-6-18-38/h1-34,55-56H
InChIKeyVRSNDSIEEOAIMI-UHFFFAOYSA-N
XLogP14.71
TPSA38.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 514.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-diphenyl-9-[9-[4-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)phenyl]dibenzofuran-4-yl]carbazole
CID 146337785
5-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 167200347
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594574
5-dibenzofuran-4-yl-7-(4-naphthalen-1-ylphenyl)indolo[2,3-b]carbazole
CID 167029628
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
CID 166962294
2-phenyl-9-[9-(4-phenyl-1,2-dihydroquinazolin-2-yl)dibenzofuran-4-yl]carbazole
CID 146337811
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
9-[9-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]dibenzofuran-4-yl]carbazole
CID 166670429
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole (CID 146334027) is 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole is c1ccc(N2c3ccccc3NC2c2ccc(-c3cccc4oc5c(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cccc5c34)cc2)cc1.
What is the InChIKey of 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole?
The InChIKey is VRSNDSIEEOAIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-3-15-37(16-4-1)57-46-24-10-7-19-40(46)43-34-51-44(33-50(43)57)41-20-8-11-25-47(41)59(51)49-27-13-22-42-53-39(21-14-28-52(53)60-54(42)49)35-29-31-36(32-30-35)55-56-45-23-9-12-26-48(45)58(55)38-17-5-2-6-18-38/h1-34,55-56H.
What are the key properties of 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole?
5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole has a molecular weight of 768.92 g/mol, XLogP of 14.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[9-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 146334027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).