9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine

C68H64N6 — CID 169056497

About 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine

9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine (PubChem CID 169056497) has the molecular formula C68H64N6 and a molecular weight of 965.30 g/mol. Its IUPAC name is 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine.

Molecular Properties

• Compound Name: 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine
• PubChem CID: 169056497
• Molecular Formula: C68H64N6
• Molecular Weight: 965.30 g/mol
• Exact Mass: 964.52
• IUPAC Name: 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4nc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)cc(N(c4ccccc4)c4ccccc4)c3n5c21
• InChI: InChI=1S/C68H64N6/c1-65(2,3)41-33-49-51-35-43(67(7,8)9)39-55(71(45-25-17-13-18-26-45)46-27-19-14-20-28-46)61(51)73-59(49)53(37-41)57-63(73)70-58-54-38-42(66(4,5)6)34-50-52-36-44(68(10,11)12)40-56(62(52)74(60(50)54)64(58)69-57)72(47-29-21-15-22-30-47)48-31-23-16-24-32-48/h13-40H,1-12H3
• InChIKey: CSKADRVOCQMLHB-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 41.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.30
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine?

The IUPAC name of 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine (CID 169056497) is 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine.

What is the SMILES notation for 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine?

The canonical SMILES for 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4nc5c(nc4n2c13)c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)cc(N(c4ccccc4)c4ccccc4)c3n5c21.

What is the InChIKey of 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine?

The InChIKey is CSKADRVOCQMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H64N6/c1-65(2,3)41-33-49-51-35-43(67(7,8)9)39-55(71(45-25-17-13-18-26-45)46-27-19-14-20-28-46)61(51)73-59(49)53(37-41)57-63(73)70-58-54-38-42(66(4,5)6)34-50-52-36-44(68(10,11)12)40-56(62(52)74(60(50)54)64(58)69-57)72(47-29-21-15-22-30-47)48-31-23-16-24-32-48/h13-40H,1-12H3.

What are the key properties of 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine?

9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine has a molecular weight of 965.30 g/mol, XLogP of 18.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14,24,29-tetratert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-3,5,18,20-tetrazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-7,22-diamine is sourced from PubChem (CID 169056497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).