17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine

C74H63N3 — CID 89065270

About 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine

17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine (PubChem CID 89065270) has the molecular formula C74H63N3 and a molecular weight of 994.34 g/mol. Its IUPAC name is 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine.

Molecular Properties

• Compound Name: 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine
• PubChem CID: 89065270
• Molecular Formula: C74H63N3
• Molecular Weight: 994.34 g/mol
• Exact Mass: 993.50
• IUPAC Name: 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine
• SMILES: CC1(C)C2=CC(N(c3ccc4ccccc4c3)c3cc4c5c(c3)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)cc6c3n5C3=C(C=CCC3C4(C)C)C6(C)C)CC=C2c2ccccc21
• InChI: InChI=1S/C74H63N3/c1-71(2)60-24-15-13-22-54(60)56-34-32-50(40-64(56)71)75(48-30-28-44-18-9-11-20-46(44)36-48)52-38-58-59-39-53(43-67-69(59)77-68(58)66(42-52)73(5,6)62-26-17-27-63(70(62)77)74(67,7)8)76(49-31-29-45-19-10-12-21-47(45)37-49)51-33-35-57-55-23-14-16-25-61(55)72(3,4)65(57)41-51/h9-26,28-32,34-43,51,63H,27,33H2,1-8H3
• InChIKey: URXFKEWNBOOLCA-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.34
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine?

The IUPAC name of 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine (CID 89065270) is 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine.

What is the SMILES notation for 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine?

The canonical SMILES for 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine is CC1(C)C2=CC(N(c3ccc4ccccc4c3)c3cc4c5c(c3)c3cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccccc7c6)cc6c3n5C3=C(C=CCC3C4(C)C)C6(C)C)CC=C2c2ccccc21.

What is the InChIKey of 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine?

The InChIKey is URXFKEWNBOOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H63N3/c1-71(2)60-24-15-13-22-54(60)56-34-32-50(40-64(56)71)75(48-30-28-44-18-9-11-20-46(44)36-48)52-38-58-59-39-53(43-67-69(59)77-68(58)66(42-52)73(5,6)62-26-17-27-63(70(62)77)74(67,7)8)76(49-31-29-45-19-10-12-21-47(45)37-49)51-33-35-57-55-23-14-16-25-61(55)72(3,4)65(57)41-51/h9-26,28-32,34-43,51,63H,27,33H2,1-8H3.

What are the key properties of 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine?

17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine has a molecular weight of 994.34 g/mol, XLogP of 19.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine is sourced from PubChem (CID 89065270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).