5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole

C51H35N3 — CID 139361909

IUPAC5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4nc3-n3c4ccccc4c4cc5ccccc5cc43)cccc21
InChIInChI=1S/C51H35N3/c1-51(2)42-25-13-11-23-37(42)48-38(24-15-26-43(48)51)49-50(54-46-27-14-12-22-36(46)41-28-34-20-9-10-21-35(34)29-47(41)54)53-45-31-40(33-18-7-4-8-19-33)39(30-44(45)52-49)32-16-5-3-6-17-32/h3-31H,1-2H3
InChIKeyKOFKRRRYVPXWFW-UHFFFAOYSA-N
MW689.86 g/mol
LogP13.19
Rot. Bonds4

About 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole

5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole (PubChem CID 139361909) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
PubChem CID139361909
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4nc3-n3c4ccccc4c4cc5ccccc5cc43)cccc21
InChIInChI=1S/C51H35N3/c1-51(2)42-25-13-11-23-37(42)48-38(24-15-26-43(48)51)49-50(54-46-27-14-12-22-36(46)41-28-34-20-9-10-21-35(34)29-47(41)54)53-45-31-40(33-18-7-4-8-19-33)39(30-44(45)52-49)32-16-5-3-6-17-32/h3-31H,1-2H3
InChIKeyKOFKRRRYVPXWFW-UHFFFAOYSA-N
XLogP13.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9,9-dimethylfluoren-4-yl)-5-(3-naphthalen-2-yl-6-phenylquinoxalin-2-yl)benzo[b]carbazole;5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]-3-naphthalen-2-ylbenzo[b]carbazole;2-naphthalen-2-yl-5-[6-phenyl-3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 161055075
5-[9,9-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-b]pyrazin-3-yl]benzo[b]carbazole
CID 146391602
12-(9,9-dimethylfluoren-2-yl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 139322555
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146374991
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
5-[3,7-diphenyl-6-(4-phenylphenyl)quinoxalin-2-yl]-2-phenylbenzo[b]carbazole
CID 146540047
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
9,9-dimethyl-15-(3-phenylquinoxalin-2-yl)-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 129193081
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806
5-[5,5-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146391930
2-[4-[4-[3-dibenzofuran-4-yl-2-[2-[9-[4-[3-dibenzothiophen-4-yl-2-(2-phenylbenzo[b]carbazol-5-yl)quinoxalin-6-yl]phenyl]phenanthren-3-yl]benzo[b]carbazol-5-yl]quinoxalin-6-yl]phenyl]phenyl]-5-[3-(9,9-dimethylfluoren-4-yl)-6-phenylquinoxalin-2-yl]benzo[b]carbazole
CID 146539999

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole (CID 139361909) is 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3nc4cc(-c5ccccc5)c(-c5ccccc5)cc4nc3-n3c4ccccc4c4cc5ccccc5cc43)cccc21.
What is the InChIKey of 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is KOFKRRRYVPXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-51(2)42-25-13-11-23-37(42)48-38(24-15-26-43(48)51)49-50(54-46-27-14-12-22-36(46)41-28-34-20-9-10-21-35(34)29-47(41)54)53-45-31-40(33-18-7-4-8-19-33)39(30-44(45)52-49)32-16-5-3-6-17-32/h3-31H,1-2H3.
What are the key properties of 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole?
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 689.86 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).