10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine

C66H54N4 — CID 164841318

About 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine

10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine (PubChem CID 164841318) has the molecular formula C66H54N4 and a molecular weight of 927.33 g/mol. Its IUPAC name is 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine
• PubChem CID: 164841318
• Molecular Formula: C66H54N4
• Molecular Weight: 927.33 g/mol
• Exact Mass: 926.59
• IUPAC Name: 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine
• SMILES: [2H]c1c([2H])c([2H])c(N(c2ccc(C3CCCCC3)cc2)c2c([2H])c([2H])c([2H])c3c2c2c([2H])c([2H])c([2H])c4c5c([2H])c6c(c([2H])c5n3c24)c2c([2H])c([2H])c([2H])c3c4c(N(c5ccc(C7CCCCC7)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c([2H])c4n6c32)c([2H])c1[2H]
• InChI: InChI=1S/C66H54N4/c1-5-17-43(18-6-1)45-33-37-49(38-34-45)67(47-21-9-3-10-22-47)57-29-15-31-59-63(57)53-27-13-25-51-55-42-62-56(41-61(55)69(59)65(51)53)52-26-14-28-54-64-58(30-16-32-60(64)70(62)66(52)54)68(48-23-11-4-12-24-48)50-39-35-46(36-40-50)44-19-7-2-8-20-44/h3-4,9-16,21-44H,1-2,5-8,17-20H2/i3D,4D,9D,10D,11D,12D,13D,14D,15D,16D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,41D,42D
• InChIKey: GCAAHKSCKSJZPE-XGCLKCOUSA-N
• XLogP: 19.02
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.33
LogP ≤ 5	19.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine?

The IUPAC name of 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine (CID 164841318) is 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine.

What is the SMILES notation for 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine?

The canonical SMILES for 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine is [2H]c1c([2H])c([2H])c(N(c2ccc(C3CCCCC3)cc2)c2c([2H])c([2H])c([2H])c3c2c2c([2H])c([2H])c([2H])c4c5c([2H])c6c(c([2H])c5n3c24)c2c([2H])c([2H])c([2H])c3c4c(N(c5ccc(C7CCCCC7)cc5)c5c([2H])c([2H])c([2H])c([2H])c5[2H])c([2H])c([2H])c([2H])c4n6c32)c([2H])c1[2H].

What is the InChIKey of 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine?

The InChIKey is GCAAHKSCKSJZPE-XGCLKCOUSA-N. The full InChI is InChI=1S/C66H54N4/c1-5-17-43(18-6-1)45-33-37-49(38-34-45)67(47-21-9-3-10-22-47)57-29-15-31-59-63(57)53-27-13-25-51-55-42-62-56(41-61(55)69(59)65(51)53)52-26-14-28-54-64-58(30-16-32-60(64)70(62)66(52)54)68(48-23-11-4-12-24-48)50-39-35-46(36-40-50)44-19-7-2-8-20-44/h3-4,9-16,21-44H,1-2,5-8,17-20H2/i3D,4D,9D,10D,11D,12D,13D,14D,15D,16D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,41D,42D.

What are the key properties of 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine?

10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine has a molecular weight of 927.33 g/mol, XLogP of 19.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis(4-cyclohexylphenyl)-3,7,8,9,13,14,15,18,22,23,24,28,29,30-tetradecadeuterio-10-N,25-N-bis(2,3,4,5,6-pentadeuteriophenyl)-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-10,25-diamine is sourced from PubChem (CID 164841318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).