7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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

C82H62N4 — CID 167105148

About 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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

7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 167105148) has the molecular formula C82H62N4 and a molecular weight of 1103.43 g/mol. Its IUPAC name is 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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: 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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: 167105148
• Molecular Formula: C82H62N4
• Molecular Weight: 1103.43 g/mol
• Exact Mass: 1102.50
• IUPAC Name: 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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: CC(C)(C)c1cccc2c3c(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)ccc4c5cc6c(cc5n(c12)c43)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c2c3cccc(C(C)(C)C)c3n6c12
• InChI: InChI=1S/C82H62N4/c1-81(2,3)69-35-19-33-65-75-71(83(55-25-9-7-10-26-55)57-41-37-53(38-42-57)61-31-17-23-51-21-13-15-29-59(51)61)47-45-63-67-50-74-68(49-73(67)85(77(65)69)79(63)75)64-46-48-72(76-66-34-20-36-70(82(4,5)6)78(66)86(74)80(64)76)84(56-27-11-8-12-28-56)58-43-39-54(40-44-58)62-32-18-24-52-22-14-16-30-60(52)62/h7-50H,1-6H3
• InChIKey: IBVAYSKLGWKUEB-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.43
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 167105148) is 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 CC(C)(C)c1cccc2c3c(N(c4ccccc4)c4ccc(-c5cccc6ccccc56)cc4)ccc4c5cc6c(cc5n(c12)c43)c1ccc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2)c2c3cccc(C(C)(C)C)c3n6c12.

What is the InChIKey of 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 IBVAYSKLGWKUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N4/c1-81(2,3)69-35-19-33-65-75-71(83(55-25-9-7-10-26-55)57-41-37-53(38-42-57)61-31-17-23-51-21-13-15-29-59(51)61)47-45-63-67-50-74-68(49-73(67)85(77(65)69)79(63)75)64-46-48-72(76-66-34-20-36-70(82(4,5)6)78(66)86(74)80(64)76)84(56-27-11-8-12-28-56)58-43-39-54(40-44-58)62-32-18-24-52-22-14-16-30-60(52)62/h7-50H,1-6H3.

What are the key properties of 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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?

7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 1103.43 g/mol, XLogP of 23.16, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,22-ditert-butyl-13-N,28-N-bis(4-naphthalen-1-ylphenyl)-13-N,28-N-diphenyl-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 167105148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).