N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine

C154H97N3O6 — CID 165103732

About N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine

N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine (PubChem CID 165103732) has the molecular formula C154H97N3O6 and a molecular weight of 2085.48 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine.

Molecular Properties

• Compound Name: N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine
• PubChem CID: 165103732
• Molecular Formula: C154H97N3O6
• Molecular Weight: 2085.48 g/mol
• Exact Mass: 2083.74
• IUPAC Name: N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c5ccccc5cc5oc6ccc7c8ccccc8oc7c6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccccc4c4oc5ccc6c7ccccc7oc6c5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6ccccc6c6c7ccccc7oc6c5c34)cc2)cc1
• InChI: InChI=1S/C58H37NO2.C50H31NO2.C46H29NO2/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)44-27-31-47(32-28-44)59(48-33-29-45(30-34-48)43-25-21-41(22-26-43)39-13-5-2-6-14-39)57-49-16-8-7-15-46(49)37-54-55(57)56-53(60-54)36-35-51-50-17-9-10-18-52(50)61-58(51)56;1-2-11-32(12-3-1)33-21-25-37(26-22-33)51(38-27-23-35(24-28-38)40-19-10-15-34-13-4-6-16-39(34)40)44-31-36-14-5-7-17-41(36)49-47(44)48-46(53-49)30-29-43-42-18-8-9-20-45(42)52-50(43)48;1-3-12-30(13-4-1)32-22-26-34(27-23-32)47(35-28-24-33(25-29-35)31-14-5-2-6-15-31)39-19-11-21-41-43(39)44-45(49-41)37-17-8-7-16-36(37)42-38-18-9-10-20-40(38)48-46(42)44/h1-37H;1-31H;1-29H
• InChIKey: YUAWBBWYYSJDBF-UHFFFAOYSA-N
• XLogP: 44.81
• TPSA: 88.56 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2085.48
LogP ≤ 5	44.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine?

The IUPAC name of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine (CID 165103732) is N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine.

What is the SMILES notation for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine?

The canonical SMILES for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c5ccccc5cc5oc6ccc7c8ccccc8oc7c6c45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccccc4c4oc5ccc6c7ccccc7oc6c5c34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4oc5c6ccccc6c6c7ccccc7oc6c5c34)cc2)cc1.

What is the InChIKey of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine?

The InChIKey is YUAWBBWYYSJDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2.C50H31NO2.C46H29NO2/c1-3-11-38(12-4-1)40-19-23-42(24-20-40)44-27-31-47(32-28-44)59(48-33-29-45(30-34-48)43-25-21-41(22-26-43)39-13-5-2-6-14-39)57-49-16-8-7-15-46(49)37-54-55(57)56-53(60-54)36-35-51-50-17-9-10-18-52(50)61-58(51)56;1-2-11-32(12-3-1)33-21-25-37(26-22-33)51(38-27-23-35(24-28-38)40-19-10-15-34-13-4-6-16-39(34)40)44-31-36-14-5-7-17-41(36)49-47(44)48-46(53-49)30-29-43-42-18-8-9-20-45(42)52-50(43)48;1-3-12-30(13-4-1)32-22-26-34(27-23-32)47(35-28-24-33(25-29-35)31-14-5-2-6-15-31)39-19-11-21-41-43(39)44-45(49-41)37-17-8-7-16-36(37)42-38-18-9-10-20-40(38)48-46(42)44/h1-37H;1-31H;1-29H.

What are the key properties of N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine?

N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine has a molecular weight of 2085.48 g/mol, XLogP of 44.81, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine;N,N-bis[4-(4-phenylphenyl)phenyl]-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-23-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-3,14-dioxahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaen-23-amine is sourced from PubChem (CID 165103732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).