9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine

C65H50N2 — CID 89492402

About 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine

9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine (PubChem CID 89492402) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine
• PubChem CID: 89492402
• Molecular Formula: C65H50N2
• Molecular Weight: 859.13 g/mol
• Exact Mass: 858.40
• IUPAC Name: 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine
• SMILES: CC1(C)c2cc(C#Cc3ccc(-n4c5cc6c(cc5c5cc7c(cc54)C(C)(C)c4ccccc4-7)-c4ccccc4C6(C)C)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
• InChI: InChI=1S/C65H50N2/c1-63(2)55-23-15-13-21-47(55)51-37-53-54-38-52-48-22-14-16-24-56(48)64(3,4)60(52)40-62(54)67(61(53)39-59(51)63)45-30-27-41(28-31-45)25-26-42-29-33-49-50-34-32-46(36-58(50)65(5,6)57(49)35-42)66(43-17-9-7-10-18-43)44-19-11-8-12-20-44/h7-24,27-40H,1-6H3
• InChIKey: GQDCHPPRBNUBKK-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.13
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine (CID 89492402) is 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine is CC1(C)c2cc(C#Cc3ccc(-n4c5cc6c(cc5c5cc7c(cc54)C(C)(C)c4ccccc4-7)-c4ccccc4C6(C)C)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.

What is the InChIKey of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine?

The InChIKey is GQDCHPPRBNUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-63(2)55-23-15-13-21-47(55)51-37-53-54-38-52-48-22-14-16-24-56(48)64(3,4)60(52)40-62(54)67(61(53)39-59(51)63)45-30-27-41(28-31-45)25-26-42-29-33-49-50-34-32-46(36-58(50)65(5,6)57(49)35-42)66(43-17-9-7-10-18-43)44-19-11-8-12-20-44/h7-24,27-40H,1-6H3.

What are the key properties of 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine?

9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine has a molecular weight of 859.13 g/mol, XLogP of 16.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine is sourced from PubChem (CID 89492402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).