5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole

C52H33N3 — CID 145180297

IUPAC5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C52H33N3/c1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)43-25-10-7-22-38(43)41-32-49-42(31-44(41)52)39-23-8-12-27-46(39)54(49)37-21-15-16-34(30-37)51-40-24-9-13-28-47(40)55-48-29-14-11-26-45(48)53-33-50(51)55/h1-33H
InChIKeyWNQOZWWTZUUGGW-UHFFFAOYSA-N
MW699.86 g/mol
LogP12.77
Rot. Bonds4

About 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole

5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole (PubChem CID 145180297) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole
PubChem CID145180297
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1
InChIInChI=1S/C52H33N3/c1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)43-25-10-7-22-38(43)41-32-49-42(31-44(41)52)39-23-8-12-27-46(39)54(49)37-21-15-16-34(30-37)51-40-24-9-13-28-47(40)55-48-29-14-11-26-45(48)53-33-50(51)55/h1-33H
InChIKeyWNQOZWWTZUUGGW-UHFFFAOYSA-N
XLogP12.77
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11,11-diphenyl-5-[3-(10-tetraphenylen-2-ylanthracen-9-yl)phenyl]indeno[1,2-b]carbazole
CID 138553243
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
9-[3-(2-bromo-9,9-diphenylfluoren-3-yl)phenyl]carbazole
CID 167526147
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796

Frequently Asked Questions

What is the IUPAC name of 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole?
The IUPAC name of 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole (CID 145180297) is 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole?
The canonical SMILES for 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2cccc(-c3c4ccccc4n4c3cnc3ccccc34)c2)cc1.
What is the InChIKey of 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole?
The InChIKey is WNQOZWWTZUUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-17-35(18-4-1)52(36-19-5-2-6-20-36)43-25-10-7-22-38(43)41-32-49-42(31-44(41)52)39-23-8-12-27-46(39)54(49)37-21-15-16-34(30-37)51-40-24-9-13-28-47(40)55-48-29-14-11-26-45(48)53-33-50(51)55/h1-33H.
What are the key properties of 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole?
5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole has a molecular weight of 699.86 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-indolo[1,2-a]quinoxalin-7-ylphenyl)-11,11-diphenylindeno[1,2-b]carbazole is sourced from PubChem (CID 145180297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).