9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine

C60H46N4 — CID 167347187

About 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine

9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine (PubChem CID 167347187) has the molecular formula C60H46N4 and a molecular weight of 823.06 g/mol. Its IUPAC name is 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine.

Molecular Properties

• Compound Name: 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine
• PubChem CID: 167347187
• Molecular Formula: C60H46N4
• Molecular Weight: 823.06 g/mol
• Exact Mass: 822.37
• IUPAC Name: 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c4c2Cc2ccccc2N4c2cc4c(cc2C3)N2c3ccccc3Cc3c(N(c5ccccc5)c5ccc(C)cc5)ccc(c32)C4)cc1
• InChI: InChI=1S/C60H46N4/c1-39-21-27-49(28-22-39)61(47-15-5-3-6-16-47)55-31-25-43-33-45-38-58-46(37-57(45)63-53-19-11-9-13-41(53)35-51(55)59(43)63)34-44-26-32-56(52-36-42-14-10-12-20-54(42)64(58)60(44)52)62(48-17-7-4-8-18-48)50-29-23-40(2)24-30-50/h3-32,37-38H,33-36H2,1-2H3
• InChIKey: LGTVYXVSKPFASR-UHFFFAOYSA-N
• XLogP: 15.80
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.06
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine?

The IUPAC name of 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine (CID 167347187) is 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine.

What is the SMILES notation for 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine?

The canonical SMILES for 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine is Cc1ccc(N(c2ccccc2)c2ccc3c4c2Cc2ccccc2N4c2cc4c(cc2C3)N2c3ccccc3Cc3c(N(c5ccccc5)c5ccc(C)cc5)ccc(c32)C4)cc1.

What is the InChIKey of 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine?

The InChIKey is LGTVYXVSKPFASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N4/c1-39-21-27-49(28-22-39)61(47-15-5-3-6-16-47)55-31-25-43-33-45-38-58-46(37-57(45)63-53-19-11-9-13-41(53)35-51(55)59(43)63)34-44-26-32-56(52-36-42-14-10-12-20-54(42)64(58)60(44)52)62(48-17-7-4-8-18-48)50-29-23-40(2)24-30-50/h3-32,37-38H,33-36H2,1-2H3.

What are the key properties of 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine?

9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine has a molecular weight of 823.06 g/mol, XLogP of 15.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,26-N-bis(4-methylphenyl)-9-N,26-N-diphenyl-1,18-diazanonacyclo[21.11.1.16,10.02,21.04,19.012,17.027,35.029,34.018,36]hexatriaconta-2(21),3,6(36),7,9,12,14,16,19,23(35),24,26,29,31,33-pentadecaene-9,26-diamine is sourced from PubChem (CID 167347187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).