5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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

C55H31N3O2 — CID 154952112

About 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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

5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 154952112) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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: 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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: 154952112
• Molecular Formula: C55H31N3O2
• Molecular Weight: 765.87 g/mol
• Exact Mass: 765.24
• IUPAC Name: 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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: O=c1c2ccccc2c2cccc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10ccccc%10)c89)cc7c56)ccc4n1c23
• InChI: InChI=1S/C55H31N3O2/c59-55-41-16-5-4-14-36(41)38-19-10-20-39-43-30-32(24-27-47(43)58(55)53(38)39)35-18-11-23-50-51(35)44-31-34(25-29-49(44)60-50)56-46-22-9-7-17-42(46)52-48(56)28-26-40-37-15-6-8-21-45(37)57(54(40)52)33-12-2-1-3-13-33/h1-31H
• InChIKey: FHCKFWUIICDPOJ-UHFFFAOYSA-N
• XLogP: 13.96
• TPSA: 44.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.87
LogP ≤ 5	13.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 154952112) is 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 O=c1c2ccccc2c2cccc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9c8ccc8c%10ccccc%10n(-c%10ccccc%10)c89)cc7c56)ccc4n1c23.

What is the InChIKey of 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 FHCKFWUIICDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c59-55-41-16-5-4-14-36(41)38-19-10-20-39-43-30-32(24-27-47(43)58(55)53(38)39)35-18-11-23-50-51(35)44-31-34(25-29-49(44)60-50)56-46-22-9-7-17-42(46)52-48(56)28-26-40-37-15-6-8-21-45(37)57(54(40)52)33-12-2-1-3-13-33/h1-31H.

What are the key properties of 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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?

5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 765.87 g/mol, XLogP of 13.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-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 154952112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).