1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole

C54H36N4 — CID 146539955

IUPAC1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc4ccccc4nc3-c3ccc(-c4cccc5cccnc45)cc3)cc21
InChIInChI=1S/C54H36N4/c1-54(2)44-19-6-5-16-41(44)42-28-27-38(31-45(42)54)39-17-10-22-48-50(39)43-30-36-12-3-4-13-37(36)32-49(43)58(48)53-52(56-46-20-7-8-21-47(46)57-53)35-25-23-33(24-26-35)40-18-9-14-34-15-11-29-55-51(34)40/h3-32H,1-2H3
InChIKeyKWOCSTNEQCEHAJ-UHFFFAOYSA-N
MW740.91 g/mol
LogP13.74
Rot. Bonds4

About 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole

1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146539955) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID146539955
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc4ccccc4nc3-c3ccc(-c4cccc5cccnc45)cc3)cc21
InChIInChI=1S/C54H36N4/c1-54(2)44-19-6-5-16-41(44)42-28-27-38(31-45(42)54)39-17-10-22-48-50(39)43-30-36-12-3-4-13-37(36)32-49(43)58(48)53-52(56-46-20-7-8-21-47(46)57-53)35-25-23-33(24-26-35)40-18-9-14-34-15-11-29-55-51(34)40/h3-32H,1-2H3
InChIKeyKWOCSTNEQCEHAJ-UHFFFAOYSA-N
XLogP13.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361992
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
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
1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146542508
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
12-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-16-thia-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155020520
15-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770065
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-[3-(2,3,4,5,6-pentadeuteriophenyl)quinoxalin-2-yl]-1-phenylbenzo[b]carbazole
CID 153485336
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole (CID 146539955) is 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3c3cc5ccccc5cc3n4-c3nc4ccccc4nc3-c3ccc(-c4cccc5cccnc45)cc3)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is KWOCSTNEQCEHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-54(2)44-19-6-5-16-41(44)42-28-27-38(31-45(42)54)39-17-10-22-48-50(39)43-30-36-12-3-4-13-37(36)32-49(43)58(48)53-52(56-46-20-7-8-21-47(46)57-53)35-25-23-33(24-26-35)40-18-9-14-34-15-11-29-55-51(34)40/h3-32H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 740.91 g/mol, XLogP of 13.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-5-[3-(4-quinolin-8-ylphenyl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146539955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).