2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 155246448

About 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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

2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 155246448) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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: 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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: 155246448
• Molecular Formula: C55H34N2O
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.27
• IUPAC Name: 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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(-c2c3c(cc4c(-c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1
• InChI: InChI=1S/C55H34N2O/c1-3-13-38(14-4-1)52-53-44-18-7-10-20-47(44)56-55(46(53)34-51-54(52)45-19-9-12-22-50(45)58-51)39-29-27-36(28-30-39)35-23-25-37(26-24-35)40-31-32-43-42-17-8-11-21-48(42)57(49(43)33-40)41-15-5-2-6-16-41/h1-34H
• InChIKey: KCFDLJJFHSGMRL-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 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 155246448) is 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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(-c2c3c(cc4c(-c5ccc(-c6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6)cc5)nc5ccccc5c24)oc2ccccc23)cc1.

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

What are the key properties of 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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?

2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 2-phenyl-14-[4-[4-(9-phenylcarbazol-2-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 155246448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).