5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole

C59H39N3 — CID 170255430

IUPAC5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3)c2)cc1
InChIInChI=1S/C59H39N3/c1-5-18-40(19-6-1)45-24-17-25-46(36-45)41-32-34-42(35-33-41)47-37-53(44-22-9-3-10-23-44)60-56(38-47)62-55-31-16-14-29-50(55)57-51(43-20-7-2-8-21-43)39-52-49-28-13-15-30-54(49)61(58(52)59(57)62)48-26-11-4-12-27-48/h1-39H
InChIKeyHOAAUEQJNNBIIY-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.61
Rot. Bonds7

About 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole

5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole (PubChem CID 170255430) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
PubChem CID170255430
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3)c2)cc1
InChIInChI=1S/C59H39N3/c1-5-18-40(19-6-1)45-24-17-25-46(36-45)41-32-34-42(35-33-41)47-37-53(44-22-9-3-10-23-44)60-56(38-47)62-55-31-16-14-29-50(55)57-51(43-20-7-2-8-21-43)39-52-49-28-13-15-30-54(49)61(58(52)59(57)62)48-26-11-4-12-27-48/h1-39H
InChIKeyHOAAUEQJNNBIIY-UHFFFAOYSA-N
XLogP15.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5-(3-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;5-(4-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;11-phenyl-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160763291
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
5-[3,5-bis[3-(6-pyridin-4-yl-2-pyridinyl)phenyl]phenyl]-11,12-diphenylindolo[2,3-a]carbazole
CID 164785763
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
11,12-diphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[2,3-a]carbazole
CID 138736516
19-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 140913938
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 159277893
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The IUPAC name of 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole (CID 170255430) is 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The canonical SMILES for 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole is c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cc7c8ccccc8n(-c8ccccc8)c7c65)c4)cc3)c2)cc1.
What is the InChIKey of 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
The InChIKey is HOAAUEQJNNBIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-5-18-40(19-6-1)45-24-17-25-46(36-45)41-32-34-42(35-33-41)47-37-53(44-22-9-3-10-23-44)60-56(38-47)62-55-31-16-14-29-50(55)57-51(43-20-7-2-8-21-43)39-52-49-28-13-15-30-54(49)61(58(52)59(57)62)48-26-11-4-12-27-48/h1-39H.
What are the key properties of 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole?
5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole has a molecular weight of 789.98 g/mol, XLogP of 15.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170255430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).