8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C70H52N2O4 — CID 155361522

About 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155361522) has the molecular formula C70H52N2O4 and a molecular weight of 985.20 g/mol. Its IUPAC name is 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• PubChem CID: 155361522
• Molecular Formula: C70H52N2O4
• Molecular Weight: 985.20 g/mol
• Exact Mass: 984.39
• IUPAC Name: 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• SMILES: Cc1c(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C(C)C)cc7)c7ccc8oc9ccccc9c8c7C)ccc6cc5c3c24)ccc2oc3ccccc3c12
• InChI: InChI=1S/C70H52N2O4/c1-39(2)43-15-21-49(22-16-43)71(57-27-29-61-67(41(57)5)53-11-7-9-13-59(53)73-61)51-25-19-45-35-55-65(37-47(45)33-51)75-63-31-32-64-70(69(55)63)56-36-46-20-26-52(34-48(46)38-66(56)76-64)72(50-23-17-44(18-24-50)40(3)4)58-28-30-62-68(42(58)6)54-12-8-10-14-60(54)74-62/h7-40H,1-6H3
• InChIKey: XSDZLPIBUFUUHA-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.20
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 155361522) is 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is Cc1c(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(C(C)C)cc7)c7ccc8oc9ccccc9c8c7C)ccc6cc5c3c24)ccc2oc3ccccc3c12.

What is the InChIKey of 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The InChIKey is XSDZLPIBUFUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O4/c1-39(2)43-15-21-49(22-16-43)71(57-27-29-61-67(41(57)5)53-11-7-9-13-59(53)73-61)51-25-19-45-35-55-65(37-47(45)33-51)75-63-31-32-64-70(69(55)63)56-36-46-20-26-52(34-48(46)38-66(56)76-64)72(50-23-17-44(18-24-50)40(3)4)58-28-30-62-68(42(58)6)54-12-8-10-14-60(54)74-62/h7-40H,1-6H3.

What are the key properties of 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 985.20 g/mol, XLogP of 21.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(1-methyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155361522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).