21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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

C56H44N4 — CID 177086915

About 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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 177086915) has the molecular formula C56H44N4 and a molecular weight of 773.00 g/mol. Its IUPAC name is 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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: 177086915
• Molecular Formula: C56H44N4
• Molecular Weight: 773.00 g/mol
• Exact Mass: 772.36
• IUPAC Name: 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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(-c4nc(-c5ccccc5-c5ccccc5)c5ccccc5n4)c2c1n3-c1ccccc1
• InChI: InChI=1S/C56H44N4/c1-55(2)31-32-56(3,4)45-34-48-43(33-44(45)55)50-39-25-13-12-24-38(39)49-42-28-16-18-30-47(42)60(53(49)52(50)59(48)36-21-9-6-10-22-36)54-57-46-29-17-15-27-41(46)51(58-54)40-26-14-11-23-37(40)35-19-7-5-8-20-35/h5-30,33-34H,31-32H2,1-4H3
• InChIKey: JKBVEVBKHHVCTA-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.00
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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 177086915) is 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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(-c4nc(-c5ccccc5-c5ccccc5)c5ccccc5n4)c2c1n3-c1ccccc1.

What is the InChIKey of 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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 JKBVEVBKHHVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4/c1-55(2)31-32-56(3,4)45-34-48-43(33-44(45)55)50-39-25-13-12-24-38(39)49-42-28-16-18-30-47(42)60(53(49)52(50)59(48)36-21-9-6-10-22-36)54-57-46-29-17-15-27-41(46)51(58-54)40-26-14-11-23-37(40)35-19-7-5-8-20-35/h5-30,33-34H,31-32H2,1-4H3.

What are the key properties of 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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 773.00 g/mol, XLogP of 14.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-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 177086915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).