5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole

C66H43N5 — CID 88950410

IUPAC5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
SMILESC1=Cc2c(c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n2-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)CC1
InChIInChI=1S/C66H43N5/c1-2-18-42(19-3-1)71-60-34-14-6-26-49(60)52-36-37-62-65(66(52)71)53-29-9-15-35-61(53)68(62)44-21-17-23-46(39-44)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)45-22-16-20-43(38-45)67-56-30-10-4-24-47(56)48-25-5-11-31-57(48)67/h1-8,10-28,30-41H,9,29H2
InChIKeyXLAKZJLUQZQNKM-UHFFFAOYSA-N
MW906.11 g/mol
LogP16.98
Rot. Bonds5

About 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole

5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 88950410) has the molecular formula C66H43N5 and a molecular weight of 906.11 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
PubChem CID88950410
Molecular FormulaC66H43N5
Molecular Weight906.11 g/mol
Exact Mass905.35
IUPAC Name5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
SMILESC1=Cc2c(c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n2-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)CC1
InChIInChI=1S/C66H43N5/c1-2-18-42(19-3-1)71-60-34-14-6-26-49(60)52-36-37-62-65(66(52)71)53-29-9-15-35-61(53)68(62)44-21-17-23-46(39-44)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)45-22-16-20-43(38-45)67-56-30-10-4-24-47(56)48-25-5-11-31-57(48)67/h1-8,10-28,30-41H,9,29H2
InChIKeyXLAKZJLUQZQNKM-UHFFFAOYSA-N
XLogP16.98
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.11
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-[3-[5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-1,2,10,11-tetrahydroindolo[3,2-c]carbazol-12-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88930773
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole (CID 88950410) is 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole is C1=Cc2c(c3c(ccc4c5ccccc5n(-c5ccccc5)c43)n2-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)CC1.
What is the InChIKey of 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole?
The InChIKey is XLAKZJLUQZQNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N5/c1-2-18-42(19-3-1)71-60-34-14-6-26-49(60)52-36-37-62-65(66(52)71)53-29-9-15-35-61(53)68(62)44-21-17-23-46(39-44)70-59-33-13-8-28-51(59)55-40-63-54(41-64(55)70)50-27-7-12-32-58(50)69(63)45-22-16-20-43(38-45)67-56-30-10-4-24-47(56)48-25-5-11-31-57(48)67/h1-8,10-28,30-41H,9,29H2.
What are the key properties of 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole?
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole has a molecular weight of 906.11 g/mol, XLogP of 16.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole is sourced from PubChem (CID 88950410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).