11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene

C59H36N4O — CID 134428448

About 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene

11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene (PubChem CID 134428448) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene.

Molecular Properties

• Compound Name: 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene
• PubChem CID: 134428448
• Molecular Formula: C59H36N4O
• Molecular Weight: 816.96 g/mol
• Exact Mass: 816.29
• IUPAC Name: 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene
• SMILES: c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccc(-n3c5ccccc5c5ccccc53)cc2c2cc(-n3c5ccccc5c5ccccc53)ccc2c2cccnc24)cc1
• InChI: InChI=1S/C59H36N4O/c1-2-15-37(16-3-1)61-55-26-12-13-27-57(55)64-58-36-50-49(35-56(58)61)41-31-29-39(63-53-24-10-6-19-44(53)45-20-7-11-25-54(45)63)34-48(41)47-33-38(28-30-40(47)46-21-14-32-60-59(46)50)62-51-22-8-4-17-42(51)43-18-5-9-23-52(43)62/h1-36H/b46-40-,48-47-,49-41-,59-50+
• InChIKey: QDLXEGBBWUDLCC-MGZDHURSSA-N
• XLogP: 15.70
• TPSA: 40.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.96
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene?

The IUPAC name of 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene (CID 134428448) is 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene.

What is the SMILES notation for 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene?

The canonical SMILES for 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene is c1ccc(-n2c3ccccc3oc3cc4c(cc32)c2ccc(-n3c5ccccc5c5ccccc53)cc2c2cc(-n3c5ccccc5c5ccccc53)ccc2c2cccnc24)cc1.

What is the InChIKey of 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene?

The InChIKey is QDLXEGBBWUDLCC-MGZDHURSSA-N. The full InChI is InChI=1S/C59H36N4O/c1-2-15-37(16-3-1)61-55-26-12-13-27-57(55)64-58-36-50-49(35-56(58)61)41-31-29-39(63-53-24-10-6-19-44(53)45-20-7-11-25-54(45)63)34-48(41)47-33-38(28-30-40(47)46-21-14-32-60-59(46)50)62-51-22-8-4-17-42(51)43-18-5-9-23-52(43)62/h1-36H/b46-40-,48-47-,49-41-,59-50+.

What are the key properties of 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene?

11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene has a molecular weight of 816.96 g/mol, XLogP of 15.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene is sourced from PubChem (CID 134428448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).