10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine

C62H50N4 — CID 167105305

About 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine

10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine (PubChem CID 167105305) has the molecular formula C62H50N4 and a molecular weight of 851.11 g/mol. Its IUPAC name is 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine.

Molecular Properties

• Compound Name: 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
• PubChem CID: 167105305
• Molecular Formula: C62H50N4
• Molecular Weight: 851.11 g/mol
• Exact Mass: 850.40
• IUPAC Name: 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine
• SMILES: CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccccc3)ccc3c4c5c6cc(C(C)(C)C)ccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(cc4n2c31)c56
• InChI: InChI=1S/C62H50N4/c1-61(2,3)39-27-32-51-49(35-39)57-53(64(43-23-15-9-16-24-43)44-25-17-10-18-26-44)34-31-47-56-55(66(51)59(47)57)38-48-46-30-29-45(63(41-19-11-7-12-20-41)42-21-13-8-14-22-42)37-54(46)65-52-33-28-40(62(4,5)6)36-50(52)58(56)60(48)65/h7-38H,1-6H3
• InChIKey: MUTAMKJYOHWAAC-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.11
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?

The IUPAC name of 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine (CID 167105305) is 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine.

What is the SMILES notation for 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?

The canonical SMILES for 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine is CC(C)(C)c1ccc2c(c1)c1c(N(c3ccccc3)c3ccccc3)ccc3c4c5c6cc(C(C)(C)C)ccc6n6c7cc(N(c8ccccc8)c8ccccc8)ccc7c(cc4n2c31)c56.

What is the InChIKey of 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?

The InChIKey is MUTAMKJYOHWAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N4/c1-61(2,3)39-27-32-51-49(35-39)57-53(64(43-23-15-9-16-24-43)44-25-17-10-18-26-44)34-31-47-56-55(66(51)59(47)57)38-48-46-30-29-45(63(41-19-11-7-12-20-41)42-21-13-8-14-22-42)37-54(46)65-52-33-28-40(62(4,5)6)36-50(52)58(56)60(48)65/h7-38H,1-6H3.

What are the key properties of 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine?

10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine has a molecular weight of 851.11 g/mol, XLogP of 17.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10,28-ditert-butyl-6-N,6-N,21-N,21-N-tetraphenyl-14,24-diazanonacyclo[15.13.1.13,7.02,15.08,13.018,23.024,31.025,30.014,32]dotriaconta-1(31),2(15),3(32),4,6,8(13),9,11,16,18(23),19,21,25(30),26,28-pentadecaene-6,21-diamine is sourced from PubChem (CID 167105305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).