21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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

C54H44N2 — CID 177087233

About 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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

21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 177087233) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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: 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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: 177087233
• Molecular Formula: C54H44N2
• Molecular Weight: 720.96 g/mol
• Exact Mass: 720.35
• IUPAC Name: 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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-c1cccc(-c2ccccc2-c2ccccc2)c1
• InChI: InChI=1S/C54H44N2/c1-53(2)30-31-54(3,4)46-34-48-44(33-45(46)53)50-42-27-14-13-26-41(42)49-43-28-15-16-29-47(43)55(37-21-9-6-10-22-37)51(49)52(50)56(48)38-23-17-20-36(32-38)40-25-12-11-24-39(40)35-18-7-5-8-19-35/h5-29,32-34H,30-31H2,1-4H3
• InChIKey: ZAXVFKUNLJRBOH-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.96
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 177087233) is 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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-c1cccc(-c2ccccc2-c2ccccc2)c1.

What is the InChIKey of 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 ZAXVFKUNLJRBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-53(2)30-31-54(3,4)46-34-48-44(33-45(46)53)50-42-27-14-13-26-41(42)49-43-28-15-16-29-47(43)55(37-21-9-6-10-22-37)51(49)52(50)56(48)38-23-17-20-36(32-38)40-25-12-11-24-39(40)35-18-7-5-8-19-35/h5-29,32-34H,30-31H2,1-4H3.

What are the key properties of 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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?

21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 720.96 g/mol, XLogP of 14.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)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 177087233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).