10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

C114H64N6O3S — CID 139407224

About 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 139407224) has the molecular formula C114H64N6O3S and a molecular weight of 1597.87 g/mol. Its IUPAC name is 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

• Compound Name: 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
• PubChem CID: 139407224
• Molecular Formula: C114H64N6O3S
• Molecular Weight: 1597.87 g/mol
• Exact Mass: 1596.48
• IUPAC Name: 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)c(=O)n3c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)cc4c53)ccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)cc7c8ccccc8c(=O)n6c75)ccc4n(-c4cc5c6ccccc6c(=O)n6c7ccccc7c(c4)c56)c3cc21
• InChI: InChI=1S/C114H64N6O3S/c1-114(2)95-53-65(61-35-41-72-88-51-66(64-39-46-107-87(49-64)79-26-12-18-34-106(79)124-107)52-89-77-24-10-16-32-100(77)119(108(88)89)113(123)94(72)50-61)36-42-73(95)82-59-86-84-48-63(38-44-103(84)117(105(86)60-96(82)114)69-56-90-70-19-3-5-27-80(70)111(121)118-101-33-17-11-25-78(101)92(57-69)109(90)118)62-37-43-102-83(47-62)76-23-9-15-31-99(76)115(102)67-40-45-104-85(54-67)93-58-68(55-91-71-20-4-6-28-81(71)112(122)120(104)110(91)93)116-97-29-13-7-21-74(97)75-22-8-14-30-98(75)116/h3-60H,1-2H3
• InChIKey: KGJBZCUFZIWAQE-UHFFFAOYSA-N
• XLogP: 28.18
• TPSA: 79.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1597.87
LogP ≤ 5	28.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The IUPAC name of 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (CID 139407224) is 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

What is the SMILES notation for 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The canonical SMILES for 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is CC1(C)c2cc(-c3ccc4c(c3)c(=O)n3c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)cc4c53)ccc2-c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c(c5)c5cc(-n7c8ccccc8c8ccccc87)cc7c8ccccc8c(=O)n6c75)ccc4n(-c4cc5c6ccccc6c(=O)n6c7ccccc7c(c4)c56)c3cc21.

What is the InChIKey of 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

The InChIKey is KGJBZCUFZIWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H64N6O3S/c1-114(2)95-53-65(61-35-41-72-88-51-66(64-39-46-107-87(49-64)79-26-12-18-34-106(79)124-107)52-89-77-24-10-16-32-100(77)119(108(88)89)113(123)94(72)50-61)36-42-73(95)82-59-86-84-48-63(38-44-103(84)117(105(86)60-96(82)114)69-56-90-70-19-3-5-27-80(70)111(121)118-101-33-17-11-25-78(101)92(57-69)109(90)118)62-37-43-102-83(47-62)76-23-9-15-31-99(76)115(102)67-40-45-104-85(54-67)93-58-68(55-91-71-20-4-6-28-81(71)112(122)120(104)110(91)93)116-97-29-13-7-21-74(97)75-22-8-14-30-98(75)116/h3-60H,1-2H3.

What are the key properties of 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?

10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 1597.87 g/mol, XLogP of 28.18, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 10-carbazol-9-yl-5-[3-[9-(10-dibenzothiophen-2-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-16-yl)-7,7-dimethyl-5-(19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-10-yl)indeno[2,1-b]carbazol-2-yl]carbazol-9-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 139407224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).