8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine

C70H56N2O2 — CID 58890508

About 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine

8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine (PubChem CID 58890508) has the molecular formula C70H56N2O2 and a molecular weight of 957.23 g/mol. Its IUPAC name is 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine.

Molecular Properties

• Compound Name: 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
• PubChem CID: 58890508
• Molecular Formula: C70H56N2O2
• Molecular Weight: 957.23 g/mol
• Exact Mass: 956.43
• IUPAC Name: 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine
• SMILES: CCC(C)Oc1ccc(N(c2ccc(OC(C)CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccccc8)c8ccccc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
• InChI: InChI=1S/C70H56N2O2/c1-5-45(3)73-53-37-33-51(34-38-53)72(52-35-39-54(40-36-52)74-46(4)6-2)62-44-42-60-66-56(62)30-20-32-58(66)68-64(48-23-13-8-14-24-48)69-59-41-43-61(71(49-25-15-9-16-26-49)50-27-17-10-18-28-50)55-29-19-31-57(65(55)59)67(69)63(70(60)68)47-21-11-7-12-22-47/h7-46H,5-6H2,1-4H3
• InChIKey: BDZGLJVFACPTMY-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.23
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?

The IUPAC name of 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine (CID 58890508) is 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine.

What is the SMILES notation for 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?

The canonical SMILES for 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine is CCC(C)Oc1ccc(N(c2ccc(OC(C)CC)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccccc8)c8ccccc8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.

What is the InChIKey of 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?

The InChIKey is BDZGLJVFACPTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2O2/c1-5-45(3)73-53-37-33-51(34-38-53)72(52-35-39-54(40-36-52)74-46(4)6-2)62-44-42-60-66-56(62)30-20-32-58(66)68-64(48-23-13-8-14-24-48)69-59-41-43-61(71(49-25-15-9-16-26-49)50-27-17-10-18-28-50)55-29-19-31-57(65(55)59)67(69)63(70(60)68)47-21-11-7-12-22-47/h7-46H,5-6H2,1-4H3.

What are the key properties of 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine?

8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine has a molecular weight of 957.23 g/mol, XLogP of 20.11, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,8-N-bis(4-butan-2-yloxyphenyl)-20-N,20-N,3,15-tetraphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine is sourced from PubChem (CID 58890508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).