9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

C62H46N2O3 — CID 155361936

About 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine

9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (PubChem CID 155361936) has the molecular formula C62H46N2O3 and a molecular weight of 867.06 g/mol. Its IUPAC name is 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• PubChem CID: 155361936
• Molecular Formula: C62H46N2O3
• Molecular Weight: 867.06 g/mol
• Exact Mass: 866.35
• IUPAC Name: 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
• SMILES: Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc4cc23)cc(C)c1C
• InChI: InChI=1S/C62H46N2O3/c1-35-23-48(24-36(2)39(35)5)63(49-25-37(3)40(6)38(4)26-49)46-21-19-41-29-52-54-33-61-55(34-60(54)65-58(52)31-43(41)27-46)53-30-42-20-22-47(28-44(42)32-59(53)66-61)64(45-13-8-7-9-14-45)56-17-12-16-51-50-15-10-11-18-57(50)67-62(51)56/h7-34H,1-6H3
• InChIKey: UBBHPURSRXJWKM-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 45.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.06
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The IUPAC name of 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine (CID 155361936) is 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The canonical SMILES for 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc4cc23)cc(C)c1C.

What is the InChIKey of 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

The InChIKey is UBBHPURSRXJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2O3/c1-35-23-48(24-36(2)39(35)5)63(49-25-37(3)40(6)38(4)26-49)46-21-19-41-29-52-54-33-61-55(34-60(54)65-58(52)31-43(41)27-46)53-30-42-20-22-47(28-44(42)32-59(53)66-61)64(45-13-8-7-9-14-45)56-17-12-16-51-50-15-10-11-18-57(50)67-62(51)56/h7-34H,1-6H3.

What are the key properties of 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine?

9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine has a molecular weight of 867.06 g/mol, XLogP of 18.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N-dibenzofuran-4-yl-9-N-phenyl-23-N,23-N-bis(3,4,5-trimethylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine is sourced from PubChem (CID 155361936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).