3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole

C56H34N4S — CID 139407574

IUPAC3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c(-c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C56H34N4S/c1-2-15-35(16-3-1)59-49-32-30-37(58-47-25-11-6-19-40(47)41-20-7-12-26-48(41)58)34-51(49)60-50-33-36(57-45-23-9-4-17-38(45)39-18-5-10-24-46(39)57)29-31-42(50)55(56(59)60)44-22-14-28-53-54(44)43-21-8-13-27-52(43)61-53/h1-34H
InChIKeyLGMZDNSLGPFPBG-UHFFFAOYSA-N
MW794.98 g/mol
LogP15.27
Rot. Bonds4

About 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole

3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole (PubChem CID 139407574) has the molecular formula C56H34N4S and a molecular weight of 794.98 g/mol. Its IUPAC name is 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole
PubChem CID139407574
Molecular FormulaC56H34N4S
Molecular Weight794.98 g/mol
Exact Mass794.25
IUPAC Name3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole
SMILESc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c(-c4cccc5sc6ccccc6c45)c23)cc1
InChIInChI=1S/C56H34N4S/c1-2-15-35(16-3-1)59-49-32-30-37(58-47-25-11-6-19-40(47)41-20-7-12-26-48(41)58)34-51(49)60-50-33-36(57-45-23-9-4-17-38(45)39-18-5-10-24-46(39)57)29-31-42(50)55(56(59)60)44-22-14-28-53-54(44)43-21-8-13-27-52(43)61-53/h1-34H
InChIKeyLGMZDNSLGPFPBG-UHFFFAOYSA-N
XLogP15.27
TPSA19.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.98
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-dibenzofuran-2-yl-10-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole;11-dibenzothiophen-2-yl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-10-(3-phenylphenyl)indolo[1,2-a]benzimidazole
CID 162265555
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
9-(9-dibenzofuran-1-yldibenzothiophen-2-yl)carbazole
CID 170278265
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
5-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)-2-dibenzothiophen-1-ylbenzonitrile
CID 175634748
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628

Frequently Asked Questions

What is the IUPAC name of 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole?
The IUPAC name of 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole (CID 139407574) is 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole.
What is the SMILES notation for 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole?
The canonical SMILES for 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole is c1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c(-c4cccc5sc6ccccc6c45)c23)cc1.
What is the InChIKey of 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole?
The InChIKey is LGMZDNSLGPFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S/c1-2-15-35(16-3-1)59-49-32-30-37(58-47-25-11-6-19-40(47)41-20-7-12-26-48(41)58)34-51(49)60-50-33-36(57-45-23-9-4-17-38(45)39-18-5-10-24-46(39)57)29-31-42(50)55(56(59)60)44-22-14-28-53-54(44)43-21-8-13-27-52(43)61-53/h1-34H.
What are the key properties of 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole?
3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole has a molecular weight of 794.98 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(carbazol-9-yl)-11-dibenzothiophen-1-yl-10-phenylindolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).