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

C116H72N12 — CID 161396735

IUPAC11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8cc(-c9ccccc9)ccc8nc7-c7ccccc7)c6c54)nc3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8ccc(-c9ccccc9)cc8nc7-c7ccccc7)c6c54)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/2C58H36N6/c1-5-17-37(18-6-1)41-29-33-47-49(35-41)59-53(39-21-9-3-10-22-39)57(61-47)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-50-36-42(30-34-48(50)62-58)38-19-7-2-8-20-38;1-5-17-37(18-6-1)41-29-33-47-49(35-41)61-57(53(59-47)39-21-9-3-10-22-39)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-48-34-30-42(36-50(48)62-58)38-19-7-2-8-20-38/h2*1-36H
InChIKeyVTRVEUOSEKHUBU-UHFFFAOYSA-N
MW1633.94 g/mol
LogP28.87
Rot. Bonds12

About 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

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 (PubChem CID 161396735) has the molecular formula C116H72N12 and a molecular weight of 1633.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
PubChem CID161396735
Molecular FormulaC116H72N12
Molecular Weight1633.94 g/mol
Exact Mass1632.60
IUPAC Name11,12-bis(3,6-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole;11,12-bis(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8cc(-c9ccccc9)ccc8nc7-c7ccccc7)c6c54)nc3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8ccc(-c9ccccc9)cc8nc7-c7ccccc7)c6c54)c(-c4ccccc4)nc3c2)cc1
InChIInChI=1S/2C58H36N6/c1-5-17-37(18-6-1)41-29-33-47-49(35-41)59-53(39-21-9-3-10-22-39)57(61-47)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-50-36-42(30-34-48(50)62-58)38-19-7-2-8-20-38;1-5-17-37(18-6-1)41-29-33-47-49(35-41)61-57(53(59-47)39-21-9-3-10-22-39)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-48-34-30-42(36-50(48)62-58)38-19-7-2-8-20-38/h2*1-36H
InChIKeyVTRVEUOSEKHUBU-UHFFFAOYSA-N
XLogP28.87
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.94
LogP ≤ 528.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
12-(3,7-diphenylquinoxalin-1-ium-1-yl)-11-(3,7-diphenylquinoxalin-2-yl)indolo[2,3-a]carbazole
CID 155639993
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
9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-(2,3-diphenylquinoxalin-6-yl)carbazole
CID 145361898
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
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
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
7-[9-(3-phenylphenyl)carbazol-4-yl]-11-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[a]carbazole
CID 155114239
26-[3-(3-phenylphenyl)quinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 139570650

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3nc(-c4ccccc4)c(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8cc(-c9ccccc9)ccc8nc7-c7ccccc7)c6c54)nc3c2)cc1.c1ccc(-c2ccc3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc8ccc(-c9ccccc9)cc8nc7-c7ccccc7)c6c54)c(-c4ccccc4)nc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is VTRVEUOSEKHUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H36N6/c1-5-17-37(18-6-1)41-29-33-47-49(35-41)59-53(39-21-9-3-10-22-39)57(61-47)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-50-36-42(30-34-48(50)62-58)38-19-7-2-8-20-38;1-5-17-37(18-6-1)41-29-33-47-49(35-41)61-57(53(59-47)39-21-9-3-10-22-39)63-51-27-15-13-25-43(51)45-31-32-46-44-26-14-16-28-52(44)64(56(46)55(45)63)58-54(40-23-11-4-12-24-40)60-48-34-30-42(36-50(48)62-58)38-19-7-2-8-20-38/h2*1-36H.
What are the key properties of 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?
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 has a molecular weight of 1633.94 g/mol, XLogP of 28.87, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161396735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).