12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole

C58H37N6+ — CID 155639993

IUPAC12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-[n+]7cc(-c8ccccc8)nc8ccc(-c9ccccc9)cc87)c6c54)nc3c2)cc1
InChIInChI=1S/C58H37N6/c1-5-17-38(18-6-1)42-29-33-48-50(35-42)61-58(55(60-48)41-23-11-4-12-24-41)63-52-27-15-13-25-44(52)46-31-32-47-45-26-14-16-28-53(45)64(57(47)56(46)63)62-37-51(40-21-9-3-10-22-40)59-49-34-30-43(36-54(49)62)39-19-7-2-8-20-39/h1-37H/q+1
InChIKeyMWQPARKGKDIAHW-UHFFFAOYSA-N
MW817.98 g/mol
LogP13.65
Rot. Bonds6

About 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole

12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole (PubChem CID 155639993) has the molecular formula C58H37N6+ and a molecular weight of 817.98 g/mol. Its IUPAC name is 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
PubChem CID155639993
Molecular FormulaC58H37N6+
Molecular Weight817.98 g/mol
Exact Mass817.31
IUPAC Name12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-[n+]7cc(-c8ccccc8)nc8ccc(-c9ccccc9)cc87)c6c54)nc3c2)cc1
InChIInChI=1S/C58H37N6/c1-5-17-38(18-6-1)42-29-33-48-50(35-42)61-58(55(60-48)41-23-11-4-12-24-41)63-52-27-15-13-25-44(52)46-31-32-47-45-26-14-16-28-53(45)64(57(47)56(46)63)62-37-51(40-21-9-3-10-22-40)59-49-34-30-43(36-54(49)62)39-19-7-2-8-20-39/h1-37H/q+1
InChIKeyMWQPARKGKDIAHW-UHFFFAOYSA-N
XLogP13.65
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.98
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
CID 161396735
12-(3,6-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole
CID 159784735
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-(2,3-diphenylquinoxalin-6-yl)carbazole
CID 145361898
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491
5-(3-dibenzothiophen-3-yl-7-phenylquinoxalin-2-yl)benzo[b]carbazole
CID 139361418
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
12-(3,7-diphenylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-1-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-naphthalen-2-ylquinoxalin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(3-phenylquinoxalin-2-yl)-11-triphenylen-2-ylindolo[2,3-a]carbazole;12-quinoxalin-2-yl-11-triphenylen-2-ylindolo[2,3-a]carbazole
CID 159766459
N-(4-carbazol-9-ylphenyl)-4-(3,6-diphenylquinoxalin-2-yl)-N-phenylaniline
CID 59259734
15-(3-phenylquinoxalin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118657591
8-(3-phenylquinoxalin-2-yl)-26-thia-8-azaheptacyclo[21.2.1.05,25.06,18.07,15.09,14.019,24]hexacosa-1,3,5,7(15),9,11,13,16,18,20,22,24-dodecaene
CID 166096428
11-phenyl-12-(2-phenylquinolin-4-yl)indolo[2,3-a]carbazole
CID 118501924

Frequently Asked Questions

What is the IUPAC name of 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole (CID 155639993) is 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-[n+]7cc(-c8ccccc8)nc8ccc(-c9ccccc9)cc87)c6c54)nc3c2)cc1.
What is the InChIKey of 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is MWQPARKGKDIAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N6/c1-5-17-38(18-6-1)42-29-33-48-50(35-42)61-58(55(60-48)41-23-11-4-12-24-41)63-52-27-15-13-25-44(52)46-31-32-47-45-26-14-16-28-53(45)64(57(47)56(46)63)62-37-51(40-21-9-3-10-22-40)59-49-34-30-43(36-54(49)62)39-19-7-2-8-20-39/h1-37H/q+1.
What are the key properties of 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole?
12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 817.98 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 155639993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).