8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

C73H58N2O4 — CID 155362211

About 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155362211) has the molecular formula C73H58N2O4 and a molecular weight of 1027.28 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 155362211
• Molecular Formula: C73H58N2O4
• Molecular Weight: 1027.28 g/mol
• Exact Mass: 1026.44
• IUPAC Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: CC(C)c1cc2c3cc4ccc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)ccc4cc3c12
• InChI: InChI=1S/C73H58N2O4/c1-42(2)55-41-57-56-37-43-31-33-49(74(47-19-11-9-12-20-47)61-29-17-25-53-51-23-15-27-59(72(3,4)5)66(51)78-68(53)61)35-45(43)39-63(56)76-70(57)71-65(55)58-38-44-32-34-50(36-46(44)40-64(58)77-71)75(48-21-13-10-14-22-48)62-30-18-26-54-52-24-16-28-60(73(6,7)8)67(52)79-69(54)62/h9-42H,1-8H3
• InChIKey: SLBBMSMUQITNKX-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.28
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155362211) is 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is CC(C)c1cc2c3cc4ccc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)cc4cc3oc2c2oc3cc4cc(N(c5ccccc5)c5cccc6c5oc5c(C(C)(C)C)cccc56)ccc4cc3c12.

What is the InChIKey of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is SLBBMSMUQITNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N2O4/c1-42(2)55-41-57-56-37-43-31-33-49(74(47-19-11-9-12-20-47)61-29-17-25-53-51-23-15-27-59(72(3,4)5)66(51)78-68(53)61)35-45(43)39-63(56)76-70(57)71-65(55)58-38-44-32-34-50(36-46(44)40-64(58)77-71)75(48-21-13-10-14-22-48)62-30-18-26-54-52-24-16-28-60(73(6,7)8)67(52)79-69(54)62/h9-42H,1-8H3.

What are the key properties of 8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,23-N-bis(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 1027.28 g/mol, XLogP of 22.25, 7 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(6-tert-butyldibenzofuran-4-yl)-8-N,23-N-diphenyl-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155362211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).