6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

C112H84N4O4 — CID 159791448

About 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine

6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (PubChem CID 159791448) has the molecular formula C112H84N4O4 and a molecular weight of 1549.93 g/mol. Its IUPAC name is 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

Molecular Properties

• Compound Name: 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• PubChem CID: 159791448
• Molecular Formula: C112H84N4O4
• Molecular Weight: 1549.93 g/mol
• Exact Mass: 1548.65
• IUPAC Name: 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3
• InChI: InChI=1S/C58H42N2O3.C54H42N2O/c1-57(2)45-33-37(59(35-17-7-5-8-18-35)47-25-15-23-41-39-21-11-13-27-49(39)61-53(41)47)29-31-43(45)55-51(57)52-56(63-55)44-32-30-38(34-46(44)58(52,3)4)60(36-19-9-6-10-20-36)48-26-16-24-42-40-22-12-14-28-50(40)62-54(42)48;1-53(2)45-33-39(55(37-21-7-5-8-22-37)47-27-15-19-35-17-11-13-25-41(35)47)29-31-43(45)51-49(53)50-52(57-51)44-32-30-40(34-46(44)54(50,3)4)56(38-23-9-6-10-24-38)48-28-16-20-36-18-12-14-26-42(36)48/h5-34H,1-4H3;5-34H,1-4H3
• InChIKey: NIPMMJLMZYHLHU-UHFFFAOYSA-N
• XLogP: 31.77
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1549.93
LogP ≤ 5	31.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The IUPAC name of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine (CID 159791448) is 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine.

What is the SMILES notation for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The canonical SMILES for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2ccccc24)ccc1-3.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2oc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4ccccc24)ccc1-3.

What is the InChIKey of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

The InChIKey is NIPMMJLMZYHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2O3.C54H42N2O/c1-57(2)45-33-37(59(35-17-7-5-8-18-35)47-25-15-23-41-39-21-11-13-27-49(39)61-53(41)47)29-31-43(45)55-51(57)52-56(63-55)44-32-30-38(34-46(44)58(52,3)4)60(36-19-9-6-10-20-36)48-26-16-24-42-40-22-12-14-28-50(40)62-54(42)48;1-53(2)45-33-39(55(37-21-7-5-8-22-37)47-27-15-19-35-17-11-13-25-41(35)47)29-31-43(45)51-49(53)50-52(57-51)44-32-30-40(34-46(44)54(50,3)4)56(38-23-9-6-10-24-38)48-28-16-20-36-18-12-14-26-42(36)48/h5-34H,1-4H3;5-34H,1-4H3.

What are the key properties of 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine?

6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine has a molecular weight of 1549.93 g/mol, XLogP of 31.77, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,16-N-di(dibenzofuran-4-yl)-3,3,19,19-tetramethyl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine;3,3,19,19-tetramethyl-6-N,16-N-dinaphthalen-1-yl-6-N,16-N-diphenyl-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine is sourced from PubChem (CID 159791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).