3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C78H66N4 — CID 155308680

About 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 155308680) has the molecular formula C78H66N4 and a molecular weight of 1059.41 g/mol. Its IUPAC name is 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 155308680
• Molecular Formula: C78H66N4
• Molecular Weight: 1059.41 g/mol
• Exact Mass: 1058.53
• IUPAC Name: 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n4c6ccccc6c2c34)c2ccc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4ccccc4n5c23)cc1
• InChI: InChI=1S/C78H66N4/c1-47(2)51-27-35-57(36-28-51)79(58-37-29-52(30-38-58)48(3)4)67-45-43-63-73-69(55-19-11-9-12-20-55)78-74(70(56-21-13-10-14-22-56)77(73)81-65-25-17-15-23-61(65)71(67)75(63)81)64-44-46-68(72-62-24-16-18-26-66(62)82(78)76(64)72)80(59-39-31-53(32-40-59)49(5)6)60-41-33-54(34-42-60)50(7)8/h9-50H,1-8H3
• InChIKey: QJORKWQDRICOMH-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.41
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 155308680) is 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n4c6ccccc6c2c34)c2ccc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3c4ccccc4n5c23)cc1.

What is the InChIKey of 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is QJORKWQDRICOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H66N4/c1-47(2)51-27-35-57(36-28-51)79(58-37-29-52(30-38-58)48(3)4)67-45-43-63-73-69(55-19-11-9-12-20-55)78-74(70(56-21-13-10-14-22-56)77(73)81-65-25-17-15-23-61(65)71(67)75(63)81)64-44-46-68(72-62-24-16-18-26-66(62)82(78)76(64)72)80(59-39-31-53(32-40-59)49(5)6)60-41-33-54(34-42-60)50(7)8/h9-50H,1-8H3.

What are the key properties of 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 1059.41 g/mol, XLogP of 22.75, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,18-diphenyl-13-N,13-N,28-N,28-N-tetrakis(4-propan-2-ylphenyl)-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),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 155308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).