12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole

C128H80N6OS — CID 157088557

About 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole

12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 157088557) has the molecular formula C128H80N6OS and a molecular weight of 1750.16 g/mol. Its IUPAC name is 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
• PubChem CID: 157088557
• Molecular Formula: C128H80N6OS
• Molecular Weight: 1750.16 g/mol
• Exact Mass: 1748.61
• IUPAC Name: 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6ccc5n(-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6ccc5n(-c5ccc6oc7ccccc7c6c5)c4c32)cc1
• InChI: InChI=1S/C48H32N2.C40H24N2O.C40H24N2S/c1-4-14-33(15-5-1)36-30-37(34-16-6-2-7-17-34)32-38(31-36)35-24-26-40(27-25-35)50-46-23-13-11-21-42(46)44-29-28-43-41-20-10-12-22-45(41)49(47(43)48(44)50)39-18-8-3-9-19-39;1-2-11-26(12-3-1)41-34-16-8-6-14-29(34)31-20-21-32-38-28-13-5-4-10-25(28)18-22-35(38)42(40(32)39(31)41)27-19-23-37-33(24-27)30-15-7-9-17-36(30)43-37;1-2-11-26(12-3-1)41-34-16-8-6-14-29(34)32-21-22-33-38-28-13-5-4-10-25(28)18-23-35(38)42(40(33)39(32)41)27-19-20-31-30-15-7-9-17-36(30)43-37(31)24-27/h1-32H;2*1-24H
• InChIKey: AEJPHZNOKOOJLN-UHFFFAOYSA-N
• XLogP: 35.22
• TPSA: 42.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1750.16
LogP ≤ 5	35.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?

The IUPAC name of 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 157088557) is 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole.

What is the SMILES notation for 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?

The canonical SMILES for 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6ccc5n(-c5ccc6c(c5)sc5ccccc56)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6ccc5n(-c5ccc6oc7ccccc7c6c5)c4c32)cc1.

What is the InChIKey of 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?

The InChIKey is AEJPHZNOKOOJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2.C40H24N2O.C40H24N2S/c1-4-14-33(15-5-1)36-30-37(34-16-6-2-7-17-34)32-38(31-36)35-24-26-40(27-25-35)50-46-23-13-11-21-42(46)44-29-28-43-41-20-10-12-22-45(41)49(47(43)48(44)50)39-18-8-3-9-19-39;1-2-11-26(12-3-1)41-34-16-8-6-14-29(34)31-20-21-32-38-28-13-5-4-10-25(28)18-22-35(38)42(40(32)39(31)41)27-19-23-37-33(24-27)30-15-7-9-17-36(30)43-37;1-2-11-26(12-3-1)41-34-16-8-6-14-29(34)32-21-22-33-38-28-13-5-4-10-25(28)18-23-35(38)42(40(33)39(32)41)27-19-20-31-30-15-7-9-17-36(30)43-37(31)24-27/h1-32H;2*1-24H.

What are the key properties of 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole?

12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 1750.16 g/mol, XLogP of 35.22, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 12-dibenzofuran-2-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-dibenzothiophen-3-yl-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 157088557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).