15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene

C58H42N2 — CID 89492385

About 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene

15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene (PubChem CID 89492385) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
• PubChem CID: 89492385
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c4cc5c(cc4c4cc6c(cc43)c3ccccc3n6-c3ccccc3)-c3ccccc3C5(C)C)cc21
• InChI: InChI=1S/C58H42N2/c1-57(2)49-20-12-10-18-41(49)45-31-46-48-33-54-47(44-19-11-13-21-53(44)59(54)39-16-6-5-7-17-39)32-55(48)60(56(46)34-52(45)57)40-25-27-43-42-26-24-38(29-50(42)58(3,4)51(43)30-40)37-23-22-35-14-8-9-15-36(35)28-37/h5-34H,1-4H3
• InChIKey: LXAYLNQTVARDCA-UHFFFAOYSA-N
• XLogP: 15.31
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?

The IUPAC name of 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene (CID 89492385) is 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene.

What is the SMILES notation for 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?

The canonical SMILES for 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c4cc5c(cc4c4cc6c(cc43)c3ccccc3n6-c3ccccc3)-c3ccccc3C5(C)C)cc21.

What is the InChIKey of 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?

The InChIKey is LXAYLNQTVARDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-57(2)49-20-12-10-18-41(49)45-31-46-48-33-54-47(44-19-11-13-21-53(44)59(54)39-16-6-5-7-17-39)32-55(48)60(56(46)34-52(45)57)40-25-27-43-42-26-24-38(29-50(42)58(3,4)51(43)30-40)37-23-22-35-14-8-9-15-36(35)28-37/h5-34H,1-4H3.

What are the key properties of 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene?

15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene has a molecular weight of 766.99 g/mol, XLogP of 15.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene is sourced from PubChem (CID 89492385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).