N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine

C66H47N3O — CID 121369243

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine (PubChem CID 121369243) has the molecular formula C66H47N3O and a molecular weight of 898.12 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine
• PubChem CID: 121369243
• Molecular Formula: C66H47N3O
• Molecular Weight: 898.12 g/mol
• Exact Mass: 897.37
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7oc6c54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
• InChI: InChI=1S/C66H47N3O/c1-65(2)55-22-12-8-18-45(55)47-32-30-43(38-57(47)65)67(44-31-33-48-46-19-9-13-23-56(46)66(3,4)58(48)39-44)41-26-28-42(29-27-41)69-60-25-15-11-21-50(60)52-35-37-54-53-36-34-51-49-20-10-14-24-59(49)68(40-16-6-5-7-17-40)61(51)63(53)70-64(54)62(52)69/h5-39H,1-4H3
• InChIKey: MSLYWRQQQHZIKS-UHFFFAOYSA-N
• XLogP: 17.86
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.12
LogP ≤ 5	17.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine (CID 121369243) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccccc9)c8c7oc6c54)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine?

The InChIKey is MSLYWRQQQHZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3O/c1-65(2)55-22-12-8-18-45(55)47-32-30-43(38-57(47)65)67(44-31-33-48-46-19-9-13-23-56(46)66(3,4)58(48)39-44)41-26-28-42(29-27-41)69-60-25-15-11-21-50(60)52-35-37-54-53-36-34-51-49-20-10-14-24-59(49)68(40-16-6-5-7-17-40)61(51)63(53)70-64(54)62(52)69/h5-39H,1-4H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine?

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine has a molecular weight of 898.12 g/mol, XLogP of 17.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 121369243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).