3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

C146H94FN9O3S — CID 159174015

IUPAC3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21.Cc1cc(C)cc(-c2nc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)c1.Fc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C53H35N3S.C49H35N3O.C44H24FN3O2/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32;1-28-23-29(2)25-32(24-28)45-37-13-6-9-15-42(37)50-48(51-45)52-43-22-18-31(30-17-21-41-38(26-30)33-11-5-8-14-40(33)49(41,3)4)27-39(43)35-19-20-36-34-12-7-10-16-44(34)53-47(36)46(35)52;45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h3-31H,1-2H3;5-27H,1-4H3;1-24H
InChIKeyKMAXUTIRCGVELL-UHFFFAOYSA-N
MW2073.48 g/mol
LogP39.28
Rot. Bonds10

About 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole

3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 159174015) has the molecular formula C146H94FN9O3S and a molecular weight of 2073.48 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
PubChem CID159174015
Molecular FormulaC146H94FN9O3S
Molecular Weight2073.48 g/mol
Exact Mass2071.72
IUPAC Name3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21.Cc1cc(C)cc(-c2nc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)c1.Fc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C53H35N3S.C49H35N3O.C44H24FN3O2/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32;1-28-23-29(2)25-32(24-28)45-37-13-6-9-15-42(37)50-48(51-45)52-43-22-18-31(30-17-21-41-38(26-30)33-11-5-8-14-40(33)49(41,3)4)27-39(43)35-19-20-36-34-12-7-10-16-44(34)53-47(36)46(35)52;45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h3-31H,1-2H3;5-27H,1-4H3;1-24H
InChIKeyKMAXUTIRCGVELL-UHFFFAOYSA-N
XLogP39.28
TPSA131.55 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.48
LogP ≤ 539.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole (CID 159174015) is 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4n(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)c3c21.Cc1cc(C)cc(-c2nc(-n3c4ccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)c1.Fc1ccc(-c2nc(-n3c4ccc(-c5ccc6oc7ccccc7c6c5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is KMAXUTIRCGVELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3S.C49H35N3O.C44H24FN3O2/c1-53(2)44-17-9-6-14-37(44)39-26-27-40-42-30-35(36-25-29-48-43(31-36)38-15-8-11-19-47(38)57-48)24-28-46(42)56(51(40)49(39)53)52-54-45-18-10-7-16-41(45)50(55-52)34-22-20-33(21-23-34)32-12-4-3-5-13-32;1-28-23-29(2)25-32(24-28)45-37-13-6-9-15-42(37)50-48(51-45)52-43-22-18-31(30-17-21-41-38(26-30)33-11-5-8-14-40(33)49(41,3)4)27-39(43)35-19-20-36-34-12-7-10-16-44(34)53-47(36)46(35)52;45-28-17-13-25(14-18-28)41-33-9-1-4-10-36(33)46-44(47-41)48-37-21-15-26(27-16-22-40-35(24-27)30-8-3-5-11-38(30)49-40)23-34(37)31-19-20-32-29-7-2-6-12-39(29)50-43(32)42(31)48/h3-31H,1-2H3;5-27H,1-4H3;1-24H.
What are the key properties of 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole?
3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 2073.48 g/mol, XLogP of 39.28, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole;8-dibenzothiophen-2-yl-12,12-dimethyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[2,1-a]carbazole;3-(9,9-dimethylfluoren-3-yl)-12-[4-(3,5-dimethylphenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 159174015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).