28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene

C51H44N2 — CID 177086834

About 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene

28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene (PubChem CID 177086834) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene.

Molecular Properties

• Compound Name: 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
• PubChem CID: 177086834
• Molecular Formula: C51H44N2
• Molecular Weight: 684.93 g/mol
• Exact Mass: 684.35
• IUPAC Name: 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
• SMILES: CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccccc4)c2c1n3-c1cccc2c1C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C51H44N2/c1-49(2)27-28-50(3,4)40-30-43-37(29-39(40)49)45-34-21-11-10-20-33(34)44-36-22-13-15-25-41(36)52(31-17-8-7-9-18-31)47(44)48(45)53(43)42-26-16-23-35-32-19-12-14-24-38(32)51(5,6)46(35)42/h7-26,29-30H,27-28H2,1-6H3
• InChIKey: GQAHDEMOQKSIIB-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.93
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?

The IUPAC name of 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene (CID 177086834) is 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene.

What is the SMILES notation for 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?

The canonical SMILES for 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccccc4)c2c1n3-c1cccc2c1C(C)(C)c1ccccc1-2.

What is the InChIKey of 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?

The InChIKey is GQAHDEMOQKSIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2/c1-49(2)27-28-50(3,4)40-30-43-37(29-39(40)49)45-34-21-11-10-20-33(34)44-36-22-13-15-25-41(36)52(31-17-8-7-9-18-31)47(44)48(45)53(43)42-26-16-23-35-32-19-12-14-24-38(32)51(5,6)46(35)42/h7-26,29-30H,27-28H2,1-6H3.

What are the key properties of 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?

28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene has a molecular weight of 684.93 g/mol, XLogP of 13.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene is sourced from PubChem (CID 177086834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).