14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C49H30N2O — CID 155246805

About 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 155246805) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 155246805
• Molecular Formula: C49H30N2O
• Molecular Weight: 662.79 g/mol
• Exact Mass: 662.24
• IUPAC Name: 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4c(cc23)oc2ccccc24)cc1
• InChI: InChI=1S/C49H30N2O/c1-3-14-31(15-4-1)49-40-30-45-48(38-22-9-12-25-44(38)52-45)46(47(40)37-21-7-10-23-41(37)50-49)34-17-13-16-32(28-34)33-26-27-43-39(29-33)36-20-8-11-24-42(36)51(43)35-18-5-2-6-19-35/h1-30H
• InChIKey: GSDMJSKJBGILCC-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.79
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 155246805) is 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c4c(cc23)oc2ccccc24)cc1.

What is the InChIKey of 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is GSDMJSKJBGILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-3-14-31(15-4-1)49-40-30-45-48(38-22-9-12-25-44(38)52-45)46(47(40)37-21-7-10-23-41(37)50-49)34-17-13-16-32(28-34)33-26-27-43-39(29-33)36-20-8-11-24-42(36)51(43)35-18-5-2-6-19-35/h1-30H.

What are the key properties of 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 662.79 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 155246805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).