N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

C156H99N3O6 — CID 165066935

About N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 165066935) has the molecular formula C156H99N3O6 and a molecular weight of 2111.52 g/mol. Its IUPAC name is N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
• PubChem CID: 165066935
• Molecular Formula: C156H99N3O6
• Molecular Weight: 2111.52 g/mol
• Exact Mass: 2109.75
• IUPAC Name: N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
• SMILES: c1cc(-c2cccc3c2oc2c3ccc3oc4ccccc4c32)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C54H35NO2.C52H33NO2.C50H31NO2/c1-3-12-36(13-4-1)38-24-28-43(29-25-38)55(44-30-26-39(27-31-44)41-17-9-16-40(34-41)37-14-5-2-6-15-37)45-19-10-18-42(35-45)46-21-11-22-47-48-32-33-51-52(54(48)57-53(46)47)49-20-7-8-23-50(49)56-51;1-3-13-34(14-4-1)35-25-27-38(28-26-35)53(47-31-29-40(36-15-5-2-6-16-36)42-19-7-8-20-43(42)47)39-18-11-17-37(33-39)41-22-12-23-44-45-30-32-49-50(52(45)55-51(41)44)46-21-9-10-24-48(46)54-49;1-3-17-38-32(11-1)13-8-20-39(38)34-25-27-36(28-26-34)51(45-23-9-14-33-12-2-4-18-40(33)45)37-16-7-15-35(31-37)41-21-10-22-42-43-29-30-47-48(50(43)53-49(41)42)44-19-5-6-24-46(44)52-47/h1-35H;1-33H;1-31H
• InChIKey: SCUQAJXHERRAQA-UHFFFAOYSA-N
• XLogP: 45.33
• TPSA: 88.56 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2111.52
LogP ≤ 5	45.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The IUPAC name of N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 165066935) is N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

What is the SMILES notation for N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The canonical SMILES for N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1cc(-c2cccc3c2oc2c3ccc3oc4ccccc4c32)cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2cccc3ccccc23)c1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4c5ccc5oc6ccccc6c54)c3)c3ccc(-c4ccccc4)c4ccccc34)cc2)cc1.

What is the InChIKey of N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

The InChIKey is SCUQAJXHERRAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2.C52H33NO2.C50H31NO2/c1-3-12-36(13-4-1)38-24-28-43(29-25-38)55(44-30-26-39(27-31-44)41-17-9-16-40(34-41)37-14-5-2-6-15-37)45-19-10-18-42(35-45)46-21-11-22-47-48-32-33-51-52(54(48)57-53(46)47)49-20-7-8-23-50(49)56-51;1-3-13-34(14-4-1)35-25-27-38(28-26-35)53(47-31-29-40(36-15-5-2-6-16-36)42-19-7-8-20-43(42)47)39-18-11-17-37(33-39)41-22-12-23-44-45-30-32-49-50(52(45)55-51(41)44)46-21-9-10-24-48(46)54-49;1-3-17-38-32(11-1)13-8-20-39(38)34-25-27-36(28-26-34)51(45-23-9-14-33-12-2-4-18-40(33)45)37-16-7-15-35(31-37)41-21-10-22-42-43-29-30-47-48(50(43)53-49(41)42)44-19-5-6-24-46(44)52-47/h1-35H;1-33H;1-31H.

What are the key properties of N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?

N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 2111.52 g/mol, XLogP of 45.33, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 165066935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).