15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

C₅₅H₃₄N₂O — CID 118546078

About 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene

15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 118546078) has the molecular formula C₅₅H₃₄N₂O and a molecular weight of 738.89 g/mol. Its IUPAC name is 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• PubChem CID: 118546078
• Molecular Formula: C₅₅H₃₄N₂O
• Molecular Weight: 738.89 g/mol
• Exact Mass: 738.27
• IUPAC Name: 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
• SMILES: c1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccccc5n(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c4cc32)cc1
• InChI: InChI=1S/C55H34N2O/c1-3-15-35(16-4-1)55(47-23-11-7-19-39(47)40-20-8-12-24-48(40)55)36-27-29-38(30-28-36)56-49-25-13-9-21-41(49)43-31-44-45-32-46-42-22-10-14-26-53(42)58-54(46)34-52(45)57(51(44)33-50(43)56)37-17-5-2-6-18-37/h1-34H
• InChIKey: GVJXLTMSBVOEAL-UHFFFAOYSA-N
• XLogP: 14.14
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.89
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The IUPAC name of 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene (CID 118546078) is 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene.

What is the SMILES notation for 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

The canonical SMILES for 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-n2c3cc4oc5ccccc5c4cc3c3cc4c5ccccc5n(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)c4cc32)cc1.

What is the InChIKey of 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

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

What are the key properties of 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene?

15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 738.89 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 118546078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118546078 — identifiers, structure, computed properties (public domain)

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