9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

C64H48N2O2 — CID 155359556

About 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine

9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (PubChem CID 155359556) has the molecular formula C64H48N2O2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• PubChem CID: 155359556
• Molecular Formula: C64H48N2O2
• Molecular Weight: 877.10 g/mol
• Exact Mass: 876.37
• IUPAC Name: 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
• SMILES: CC(C)c1ccc2cc(N(c3ccccc3)c3ccc4c(ccc5c6cc7oc8c9ccc(N(c%10ccccc%10)c%10ccc%11cc(C(C)C)ccc%11c%10)cc9ccc8c7cc6oc45)c3)ccc2c1
• InChI: InChI=1S/C64H48N2O2/c1-39(2)41-15-17-45-33-51(23-19-43(45)31-41)65(49-11-7-5-8-12-49)53-25-29-55-47(35-53)21-27-57-59-37-62-60(38-61(59)67-63(55)57)58-28-22-48-36-54(26-30-56(48)64(58)68-62)66(50-13-9-6-10-14-50)52-24-20-44-32-42(40(3)4)16-18-46(44)34-52/h5-40H,1-4H3
• InChIKey: HIFZRPZIRZGFJO-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.10
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The IUPAC name of 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine (CID 155359556) is 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is CC(C)c1ccc2cc(N(c3ccccc3)c3ccc4c(ccc5c6cc7oc8c9ccc(N(c%10ccccc%10)c%10ccc%11cc(C(C)C)ccc%11c%10)cc9ccc8c7cc6oc45)c3)ccc2c1.

What is the InChIKey of 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

The InChIKey is HIFZRPZIRZGFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O2/c1-39(2)41-15-17-45-33-51(23-19-43(45)31-41)65(49-11-7-5-8-12-49)53-25-29-55-47(35-53)21-27-57-59-37-62-60(38-61(59)67-63(55)57)58-28-22-48-36-54(26-30-56(48)64(58)68-62)66(50-13-9-6-10-14-50)52-24-20-44-32-42(40(3)4)16-18-46(44)34-52/h5-40H,1-4H3.

What are the key properties of 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine?

9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine has a molecular weight of 877.10 g/mol, XLogP of 19.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-diphenyl-9-N,23-N-bis(6-propan-2-ylnaphthalen-2-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine is sourced from PubChem (CID 155359556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).