13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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

C74H58N4 — CID 168724334

About 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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

13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 168724334) has the molecular formula C74H58N4 and a molecular weight of 1003.31 g/mol. Its IUPAC name is 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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: 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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: 168724334
• Molecular Formula: C74H58N4
• Molecular Weight: 1003.31 g/mol
• Exact Mass: 1002.47
• IUPAC Name: 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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: CCc1ccc(N(c2ccc(CC)cc2-c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc(CC)cc3)c3ccc(CC)cc3-c3ccccc3)c3c4ccccc4n5c23)cc1
• InChI: InChI=1S/C74H58N4/c1-5-47-27-33-53(34-28-47)75(65-39-31-49(7-3)43-59(65)51-19-11-9-12-20-51)67-41-37-55-61-45-70-62(46-69(61)77-63-25-17-15-23-57(63)71(67)73(55)77)56-38-42-68(72-58-24-16-18-26-64(58)78(70)74(56)72)76(54-35-29-48(6-2)30-36-54)66-40-32-50(8-4)44-60(66)52-21-13-10-14-22-52/h9-46H,5-8H2,1-4H3
• InChIKey: UJYOGXQIYZHPAM-UHFFFAOYSA-N
• XLogP: 20.51
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1003.31
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 168724334) is 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 CCc1ccc(N(c2ccc(CC)cc2-c2ccccc2)c2ccc3c4cc5c(cc4n4c6ccccc6c2c34)c2ccc(N(c3ccc(CC)cc3)c3ccc(CC)cc3-c3ccccc3)c3c4ccccc4n5c23)cc1.

What is the InChIKey of 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 UJYOGXQIYZHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H58N4/c1-5-47-27-33-53(34-28-47)75(65-39-31-49(7-3)43-59(65)51-19-11-9-12-20-51)67-41-37-55-61-45-70-62(46-69(61)77-63-25-17-15-23-57(63)71(67)73(55)77)56-38-42-68(72-58-24-16-18-26-64(58)78(70)74(56)72)76(54-35-29-48(6-2)30-36-54)66-40-32-50(8-4)44-60(66)52-21-13-10-14-22-52/h9-46H,5-8H2,1-4H3.

What are the key properties of 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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?

13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 1003.31 g/mol, XLogP of 20.51, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-bis(4-ethyl-2-phenylphenyl)-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 168724334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).