14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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

C55H34N2O — CID 155246789

About 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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 155246789) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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: 155246789
• Molecular Formula: C55H34N2O
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.27
• IUPAC Name: 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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(-c4ccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c4c(cc23)oc2ccccc24)cc1
• InChI: InChI=1S/C55H34N2O/c1-3-15-37(16-4-1)55-45-34-50-54(44-23-9-12-28-49(44)58-50)51(53(45)42-21-7-10-25-46(42)56-55)36-31-29-35(30-32-36)38-17-13-18-39(33-38)41-24-14-27-48-52(41)43-22-8-11-26-47(43)57(48)40-19-5-2-6-20-40/h1-34H
• InChIKey: ITLRFPTVXLYXLU-UHFFFAOYSA-N
• XLogP: 15.05
• TPSA: 30.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	15.05
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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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 155246789) is 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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(-c4ccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)cc4)c4c(cc23)oc2ccccc24)cc1.

What is the InChIKey of 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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 ITLRFPTVXLYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-3-15-37(16-4-1)55-45-34-50-54(44-23-9-12-28-49(44)58-50)51(53(45)42-21-7-10-25-46(42)56-55)36-31-29-35(30-32-36)38-17-13-18-39(33-38)41-24-14-27-48-52(41)43-22-8-11-26-47(43)57(48)40-19-5-2-6-20-40/h1-34H.

What are the key properties of 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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 738.89 g/mol, XLogP of 15.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-2-[4-[3-(9-phenylcarbazol-4-yl)phenyl]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 155246789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).