32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene

C65H53N — CID 171799059

About 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene

32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene (PubChem CID 171799059) has the molecular formula C65H53N and a molecular weight of 848.15 g/mol. Its IUPAC name is 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene.

Molecular Properties

• Compound Name: 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene
• PubChem CID: 171799059
• Molecular Formula: C65H53N
• Molecular Weight: 848.15 g/mol
• Exact Mass: 847.42
• IUPAC Name: 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene
• SMILES: CC(C)(C)c1ccc2c(c1)C13c4ccccc4-c4ccc(cc41)N(c1ccc4c(c1)C(C)(C)c1ccccc1-4)c1cc(ccc1-c1ccccc1)-c1ccccc1C(C)(C)c1ccc-2c3c1
• InChI: InChI=1S/C65H53N/c1-62(2,3)42-26-31-51-52-32-27-43-37-59(52)65(58(51)36-42)56-24-16-13-21-49(56)53-34-29-45(39-60(53)65)66(44-28-33-50-48-20-12-15-23-55(48)64(6,7)57(50)38-44)61-35-41(25-30-47(61)40-17-9-8-10-18-40)46-19-11-14-22-54(46)63(43,4)5/h8-39H,1-7H3
• InChIKey: COTTUVONNJBCLE-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.15
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene?

The IUPAC name of 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene (CID 171799059) is 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene.

What is the SMILES notation for 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene?

The canonical SMILES for 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene is CC(C)(C)c1ccc2c(c1)C13c4ccccc4-c4ccc(cc41)N(c1ccc4c(c1)C(C)(C)c1ccccc1-4)c1cc(ccc1-c1ccccc1)-c1ccccc1C(C)(C)c1ccc-2c3c1.

What is the InChIKey of 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene?

The InChIKey is COTTUVONNJBCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N/c1-62(2,3)42-26-31-51-52-32-27-43-37-59(52)65(58(51)36-42)56-24-16-13-21-49(56)53-34-29-45(39-60(53)65)66(44-28-33-50-48-20-12-15-23-55(48)64(6,7)57(50)38-44)61-35-41(25-30-47(61)40-17-9-8-10-18-40)46-19-11-14-22-54(46)63(43,4)5/h8-39H,1-7H3.

What are the key properties of 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene?

32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene has a molecular weight of 848.15 g/mol, XLogP of 17.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 32-tert-butyl-12-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-14-phenyl-12-azanonacyclo[23.9.2.28,11.113,17.01,9.02,7.018,23.028,35.029,34]nonatriaconta-2,4,6,8,10,13,15,17(37),18,20,22,25(36),26,28(35),29(34),30,32,38-octadecaene is sourced from PubChem (CID 171799059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).