9,24-bis(4-tert-butylphenyl)-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

C74H58N4 — CID 167343490

About 9,24-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 167343490) has the molecular formula C74H58N4 and a molecular weight of 1003.31 g/mol. Its IUPAC name is 9,24-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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: 167343490
• Molecular Formula: C74H58N4
• Molecular Weight: 1003.31 g/mol
• Exact Mass: 1002.47
• IUPAC Name: 9,24-bis(4-tert-butylphenyl)-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: CC(C)(C)c1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4ccccc4)ccc4c5cc6c(cc5n3c42)c2ccc(N(c3ccccc3)c3ccccc3)c3c4cc(-c5ccc(C(C)(C)C)cc5)ccc4n6c23)cc1
• InChI: InChI=1S/C74H58N4/c1-73(2,3)51-33-27-47(28-34-51)49-31-39-63-61(43-49)69-65(75(53-19-11-7-12-20-53)54-21-13-8-14-22-54)41-37-57-59-46-68-60(45-67(59)77(63)71(57)69)58-38-42-66(76(55-23-15-9-16-24-55)56-25-17-10-18-26-56)70-62-44-50(32-40-64(62)78(68)72(58)70)48-29-35-52(36-30-48)74(4,5)6/h7-46H,1-6H3
• InChIKey: RBDJCULZBSQSGS-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.31
LogP ≤ 5	20.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9,24-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 167343490) is 9,24-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 CC(C)(C)c1ccc(-c2ccc3c(c2)c2c(N(c4ccccc4)c4ccccc4)ccc4c5cc6c(cc5n3c42)c2ccc(N(c3ccccc3)c3ccccc3)c3c4cc(-c5ccc(C(C)(C)C)cc5)ccc4n6c23)cc1.

What is the InChIKey of 9,24-bis(4-tert-butylphenyl)-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 RBDJCULZBSQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N4/c1-73(2,3)51-33-27-47(28-34-51)49-31-39-63-61(43-49)69-65(75(53-19-11-7-12-20-53)54-21-13-8-14-22-54)41-37-57-59-46-68-60(45-67(59)77(63)71(57)69)58-38-42-66(76(55-23-15-9-16-24-55)56-25-17-10-18-26-56)70-62-44-50(32-40-64(62)78(68)72(58)70)48-29-35-52(36-30-48)74(4,5)6/h7-46H,1-6H3.

What are the key properties of 9,24-bis(4-tert-butylphenyl)-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-bis(4-tert-butylphenyl)-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 1003.31 g/mol, XLogP of 20.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-bis(4-tert-butylphenyl)-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 167343490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).