3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C135H95N7O2S — CID 157141349

IUPAC3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccccc2-c2ccc3nc(-c4cccc5c4oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-c4ccccc4)c3c21
InChIInChI=1S/C47H31N3O.C44H32N2O.C44H32N2S/c1-47(2)37-22-11-9-18-30(37)32-26-27-38-40(41(32)47)42(28-14-5-3-6-15-28)49-46(48-38)36-21-13-20-34-35-25-24-33-31-19-10-12-23-39(31)50(29-16-7-4-8-17-29)43(33)45(35)51-44(34)36;2*1-43(2)33-21-18-26(24-31(33)37-34(43)22-19-30-28-15-9-11-17-36(28)47-41(30)37)42-45-35-23-20-29-27-14-8-10-16-32(27)44(3,4)39(29)38(35)40(46-42)25-12-6-5-7-13-25/h3-27H,1-2H3;2*5-24H,1-4H3
InChIKeyAKFMBNGTVCQYDS-UHFFFAOYSA-N
MW1879.36 g/mol
LogP35.69
Rot. Bonds7

About 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 157141349) has the molecular formula C135H95N7O2S and a molecular weight of 1879.36 g/mol. Its IUPAC name is 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID157141349
Molecular FormulaC135H95N7O2S
Molecular Weight1879.36 g/mol
Exact Mass1877.73
IUPAC Name3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccccc2-c2ccc3nc(-c4cccc5c4oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-c4ccccc4)c3c21
InChIInChI=1S/C47H31N3O.C44H32N2O.C44H32N2S/c1-47(2)37-22-11-9-18-30(37)32-26-27-38-40(41(32)47)42(28-14-5-3-6-15-28)49-46(48-38)36-21-13-20-34-35-25-24-33-31-19-10-12-23-39(31)50(29-16-7-4-8-17-29)43(33)45(35)51-44(34)36;2*1-43(2)33-21-18-26(24-31(33)37-34(43)22-19-30-28-15-9-11-17-36(28)47-41(30)37)42-45-35-23-20-29-27-14-8-10-16-32(27)44(3,4)39(29)38(35)40(46-42)25-12-6-5-7-13-25/h3-27H,1-2H3;2*5-24H,1-4H3
InChIKeyAKFMBNGTVCQYDS-UHFFFAOYSA-N
XLogP35.69
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001879.36
LogP ≤ 535.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158900614
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 158869733
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[2,3-a]carbazole;11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 161394773
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132
3-dibenzofuran-4-yl-6-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazole;6-dibenzofuran-4-yl-2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-9-phenylcarbazole
CID 159827512
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 164993637
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;7,7-dimethyl-12-(3-phenylquinoxalin-2-yl)indeno[1,2-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[1,2-a]carbazole
CID 162130681
3-dibenzofuran-2-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-1-yl)phenyl]carbazole
CID 158048985
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158730008
3-(9,9-dimethylfluoren-2-yl)-9-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzofuro[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-[1]benzothiolo[2,3-a]carbazole;12-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-11-phenylindolo[2,3-a]carbazole
CID 160865913
5-[2-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[3-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 163786052
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083

Frequently Asked Questions

What is the IUPAC name of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 157141349) is 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2oc2ccccc21.CC1(C)c2ccc(-c3nc(-c4ccccc4)c4c5c(ccc4n3)-c3ccccc3C5(C)C)cc2-c2c1ccc1c2sc2ccccc21.CC1(C)c2ccccc2-c2ccc3nc(-c4cccc5c4oc4c5ccc5c6ccccc6n(-c6ccccc6)c54)nc(-c4ccccc4)c3c21.
What is the InChIKey of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is AKFMBNGTVCQYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O.C44H32N2O.C44H32N2S/c1-47(2)37-22-11-9-18-30(37)32-26-27-38-40(41(32)47)42(28-14-5-3-6-15-28)49-46(48-38)36-21-13-20-34-35-25-24-33-31-19-10-12-23-39(31)50(29-16-7-4-8-17-29)43(33)45(35)51-44(34)36;2*1-43(2)33-21-18-26(24-31(33)37-34(43)22-19-30-28-15-9-11-17-36(28)47-41(30)37)42-45-35-23-20-29-27-14-8-10-16-32(27)44(3,4)39(29)38(35)40(46-42)25-12-6-5-7-13-25/h3-27H,1-2H3;2*5-24H,1-4H3.
What are the key properties of 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1879.36 g/mol, XLogP of 35.69, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)-11,11-dimethyl-1-phenylindeno[2,1-f]quinazoline;10-(11,11-dimethyl-1-phenylindeno[2,1-f]quinazolin-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 157141349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).