10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

C147H85N7O4S — CID 158502973

About 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene

10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (PubChem CID 158502973) has the molecular formula C147H85N7O4S and a molecular weight of 2045.41 g/mol. Its IUPAC name is 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.

Molecular Properties

• Compound Name: 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
• PubChem CID: 158502973
• Molecular Formula: C147H85N7O4S
• Molecular Weight: 2045.41 g/mol
• Exact Mass: 2043.64
• IUPAC Name: 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
• SMILES: c1cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)c1.c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)c1
• InChI: InChI=1S/C49H29N3O.C49H28N2O2.C49H28N2OS/c1-2-16-39-35(12-1)41-27-31(30-10-9-11-34(26-30)52-43-17-6-3-13-36(43)37-14-4-7-18-44(37)52)20-22-40(41)49-48(39)50-47-29-33(24-25-51(47)49)32-21-23-46-42(28-32)38-15-5-8-19-45(38)53-46;1-2-13-39-35(10-1)41-25-31(29-8-7-9-30(24-29)33-16-19-38-36-11-3-5-14-43(36)53-46(38)27-33)17-20-40(41)49-48(39)50-47-28-34(22-23-51(47)49)32-18-21-45-42(26-32)37-12-4-6-15-44(37)52-45;1-2-13-39-35(10-1)41-25-31(29-8-7-9-30(24-29)33-16-19-38-37-12-4-6-15-45(37)53-46(38)27-33)17-20-40(41)49-48(39)50-47-28-34(22-23-51(47)49)32-18-21-44-42(26-32)36-11-3-5-14-43(36)52-44/h1-29H;2*1-28H
• InChIKey: HKCVGJXYLSCERB-UHFFFAOYSA-N
• XLogP: 40.78
• TPSA: 109.39 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.41
LogP ≤ 5	40.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The IUPAC name of 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene (CID 158502973) is 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene.

What is the SMILES notation for 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The canonical SMILES for 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is c1cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)c1.c1cc(-c2ccc3c(c2)sc2ccccc23)cc(-c2ccc3c(c2)c2ccccc2c2nc4cc(-c5ccc6oc7ccccc7c6c5)ccn4c32)c1.

What is the InChIKey of 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

The InChIKey is HKCVGJXYLSCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O.C49H28N2O2.C49H28N2OS/c1-2-16-39-35(12-1)41-27-31(30-10-9-11-34(26-30)52-43-17-6-3-13-36(43)37-14-4-7-18-44(37)52)20-22-40(41)49-48(39)50-47-29-33(24-25-51(47)49)32-21-23-46-42(28-32)38-15-5-8-19-45(38)53-46;1-2-13-39-35(10-1)41-25-31(29-8-7-9-30(24-29)33-16-19-38-36-11-3-5-14-43(36)53-46(38)27-33)17-20-40(41)49-48(39)50-47-28-34(22-23-51(47)49)32-18-21-45-42(26-32)37-12-4-6-15-44(37)52-45;1-2-13-39-35(10-1)41-25-31(29-8-7-9-30(24-29)33-16-19-38-37-12-4-6-15-45(37)53-46(38)27-33)17-20-40(41)49-48(39)50-47-28-34(22-23-51(47)49)32-18-21-44-42(26-32)36-11-3-5-14-43(36)52-44/h1-29H;2*1-28H.

What are the key properties of 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene?

10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene has a molecular weight of 2045.41 g/mol, XLogP of 40.78, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3-carbazol-9-ylphenyl)-18-dibenzofuran-2-yl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzofuran-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene;18-dibenzofuran-2-yl-10-(3-dibenzothiophen-3-ylphenyl)-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene is sourced from PubChem (CID 158502973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).