9-N,23-N-bis(4-fluorophenyl)-9-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

C56H42F2N2O2 — CID 155360369

About 9-N,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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 155360369) has the molecular formula C56H42F2N2O2 and a molecular weight of 812.96 g/mol. Its IUPAC name is 9-N,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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: 155360369
• Molecular Formula: C56H42F2N2O2
• Molecular Weight: 812.96 g/mol
• Exact Mass: 812.32
• IUPAC Name: 9-N,23-N-bis(4-fluorophenyl)-9-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(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccc(F)cc5)c5cc(C)c(C)c(C)c5)ccc4cc23)cc(C)c1C
• InChI: InChI=1S/C56H42F2N2O2/c1-31-19-47(20-32(2)35(31)5)59(43-15-9-41(57)10-16-43)45-13-7-37-25-49-51-29-56-52(30-55(51)61-53(49)27-39(37)23-45)50-26-38-8-14-46(24-40(38)28-54(50)62-56)60(44-17-11-42(58)12-18-44)48-21-33(3)36(6)34(4)22-48/h7-30H,1-6H3
• InChIKey: NOLKHSIZQGTBDZ-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.96
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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 155360369) is 9-N,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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(c2ccc(F)cc2)c2ccc3cc4c(cc3c2)oc2cc3c(cc24)oc2cc4cc(N(c5ccc(F)cc5)c5cc(C)c(C)c(C)c5)ccc4cc23)cc(C)c1C.

What is the InChIKey of 9-N,23-N-bis(4-fluorophenyl)-9-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 NOLKHSIZQGTBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42F2N2O2/c1-31-19-47(20-32(2)35(31)5)59(43-15-9-41(57)10-16-43)45-13-7-37-25-49-51-29-56-52(30-55(51)61-53(49)27-39(37)23-45)50-26-38-8-14-46(24-40(38)28-54(50)62-56)60(44-17-11-42(58)12-18-44)48-21-33(3)36(6)34(4)22-48/h7-30H,1-6H3.

What are the key properties of 9-N,23-N-bis(4-fluorophenyl)-9-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,23-N-bis(4-fluorophenyl)-9-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 812.96 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(4-fluorophenyl)-9-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 155360369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).