9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

C56H32N2O2 — CID 59147222

About 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (PubChem CID 59147222) has the molecular formula C56H32N2O2 and a molecular weight of 764.88 g/mol. Its IUPAC name is 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.

Molecular Properties

• Compound Name: 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
• PubChem CID: 59147222
• Molecular Formula: C56H32N2O2
• Molecular Weight: 764.88 g/mol
• Exact Mass: 764.25
• IUPAC Name: 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
• SMILES: c1ccc2c(c1)cc(-c1cc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c3c1oc1ccc(-n4c5ccccc5c5ccccc54)cc13)c1ccccc12
• InChI: InChI=1S/C56H32N2O2/c1-2-14-36-33(13-1)29-43(38-16-4-3-15-37(36)38)44-32-53-54(45-30-34(25-27-51(45)59-53)57-47-21-9-5-17-39(47)40-18-6-10-22-48(40)57)55-46-31-35(26-28-52(46)60-56(44)55)58-49-23-11-7-19-41(49)42-20-8-12-24-50(42)58/h1-32H
• InChIKey: ZIZIOBWBHHPRND-UHFFFAOYSA-N
• XLogP: 15.65
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.88
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?

The IUPAC name of 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (CID 59147222) is 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.

What is the SMILES notation for 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?

The canonical SMILES for 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is c1ccc2c(c1)cc(-c1cc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c3c1oc1ccc(-n4c5ccccc5c5ccccc54)cc13)c1ccccc12.

What is the InChIKey of 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?

The InChIKey is ZIZIOBWBHHPRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O2/c1-2-14-36-33(13-1)29-43(38-16-4-3-15-37(36)38)44-32-53-54(45-30-34(25-27-51(45)59-53)57-47-21-9-5-17-39(47)40-18-6-10-22-48(40)57)55-46-31-35(26-28-52(46)60-56(44)55)58-49-23-11-7-19-41(49)42-20-8-12-24-50(42)58/h1-32H.

What are the key properties of 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?

9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole has a molecular weight of 764.88 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(18-carbazol-9-yl-11-phenanthren-9-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is sourced from PubChem (CID 59147222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).