9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

C62H50N4 — CID 164841263

About 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine

9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (PubChem CID 164841263) has the molecular formula C62H50N4 and a molecular weight of 857.15 g/mol. Its IUPAC name is 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• PubChem CID: 164841263
• Molecular Formula: C62H50N4
• Molecular Weight: 857.15 g/mol
• Exact Mass: 856.44
• IUPAC Name: 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine
• SMILES: [2H]c1c(C(C)(C)C)c([2H])c2c3c(N(c4ccccc4)c4ccccc4)ccc4c5cc6c(cc5n(c2c1[2H])c43)c1ccc(N(c2ccccc2)c2ccccc2)c2c3c([2H])c(C(C)(C)C)c([2H])c([2H])c3n6c12
• InChI: InChI=1S/C62H50N4/c1-61(2,3)39-27-31-51-49(35-39)57-53(63(41-19-11-7-12-20-41)42-21-13-8-14-22-42)33-29-45-47-38-56-48(37-55(47)65(51)59(45)57)46-30-34-54(64(43-23-15-9-16-24-43)44-25-17-10-18-26-44)58-50-36-40(62(4,5)6)28-32-52(50)66(56)60(46)58/h7-38H,1-6H3/i27D,28D,31D,32D,35D,36D
• InChIKey: XTXJCYCSUGNBHV-DSFRIZMPSA-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	857.15
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine (CID 164841263) is 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is [2H]c1c(C(C)(C)C)c([2H])c2c3c(N(c4ccccc4)c4ccccc4)ccc4c5cc6c(cc5n(c2c1[2H])c43)c1ccc(N(c2ccccc2)c2ccccc2)c2c3c([2H])c(C(C)(C)C)c([2H])c([2H])c3n6c12.

What is the InChIKey of 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

The InChIKey is XTXJCYCSUGNBHV-DSFRIZMPSA-N. The full InChI is InChI=1S/C62H50N4/c1-61(2,3)39-27-31-51-49(35-39)57-53(63(41-19-11-7-12-20-41)42-21-13-8-14-22-42)33-29-45-47-38-56-48(37-55(47)65(51)59(45)57)46-30-34-54(64(43-23-15-9-16-24-43)44-25-17-10-18-26-44)58-50-36-40(62(4,5)6)28-32-52(50)66(56)60(46)58/h7-38H,1-6H3/i27D,28D,31D,32D,35D,36D.

What are the key properties of 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine?

9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine has a molecular weight of 857.15 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 9,24-ditert-butyl-7,8,10,22,23,25-hexadeuterio-13-N,13-N,28-N,28-N-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 164841263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).