3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole

C51H34N4 — CID 146374991

IUPAC3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4cc5ccccc5cc43)c21
InChIInChI=1S/C51H34N4/c1-51(2)41-21-8-5-16-34(41)38-19-13-20-39(48(38)51)49-50(53-43-23-10-9-22-42(43)52-49)55-46-29-32-15-4-3-14-31(32)28-40(46)37-27-26-33(30-47(37)55)54-44-24-11-6-17-35(44)36-18-7-12-25-45(36)54/h3-30H,1-2H3
InChIKeyHJHHVLWPTPKUTA-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.95
Rot. Bonds3

About 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole

3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146374991) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID146374991
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4cc5ccccc5cc43)c21
InChIInChI=1S/C51H34N4/c1-51(2)41-21-8-5-16-34(41)38-19-13-20-39(48(38)51)49-50(53-43-23-10-9-22-42(43)52-49)55-46-29-32-15-4-3-14-31(32)28-40(46)37-27-26-33(30-47(37)55)54-44-24-11-6-17-35(44)36-18-7-12-25-45(36)54/h3-30H,1-2H3
InChIKeyHJHHVLWPTPKUTA-UHFFFAOYSA-N
XLogP12.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzo[c]carbazol-7-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146375173
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
3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
CID 146375384
2-[2-(9-benzo[b]carbazol-5-ylbenzo[c]carbazol-7-yl)-3-(9,9-dimethylfluoren-2-yl)quinoxalin-6-yl]-9-carbazol-9-yl-7-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 166846343
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
9-benzo[a]carbazol-11-yl-5-[6-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375533
10-carbazol-9-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole;10-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole;10-carbazol-9-yl-5-[3-(9-phenylcarbazol-3-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 159535405
5-dibenzofuran-3-yl-11-(3-phenylquinoxalin-2-yl)indolo[3,2-b]carbazole;5-(9,9-dimethylfluoren-1-yl)-11-(3-phenylquinoxalin-2-yl)indolo[3,2-b]carbazole;5-(9,9-dimethylfluoren-2-yl)-11-(3-phenylquinoxalin-2-yl)indolo[3,2-b]carbazole
CID 158746356
7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzofuran-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;7-benzo[a]carbazol-11-yl-5-[5-(3-dibenzothiophen-1-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;3-benzo[a]carbazol-11-yl-5-[5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 162131598
3-benzo[a]carbazol-11-yl-5-(3-dibenzothiophen-4-ylquinoxalin-2-yl)benzo[b]carbazole
CID 146375318
3-benzo[b]carbazol-5-yl-5-[4-(3-phenanthren-9-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375039

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole (CID 146374991) is 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cccc(-c3nc4ccccc4nc3-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4cc5ccccc5cc43)c21.
What is the InChIKey of 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is HJHHVLWPTPKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-51(2)41-21-8-5-16-34(41)38-19-13-20-39(48(38)51)49-50(53-43-23-10-9-22-42(43)52-49)55-46-29-32-15-4-3-14-31(32)28-40(46)37-27-26-33(30-47(37)55)54-44-24-11-6-17-35(44)36-18-7-12-25-45(36)54/h3-30H,1-2H3.
What are the key properties of 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole?
3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[3-(9,9-dimethylfluoren-1-yl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146374991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).