10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

C201H122N4O9 — CID 165080562

About 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 165080562) has the molecular formula C201H122N4O9 and a molecular weight of 2737.21 g/mol. Its IUPAC name is 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
• PubChem CID: 165080562
• Molecular Formula: C201H122N4O9
• Molecular Weight: 2737.21 g/mol
• Exact Mass: 2734.92
• IUPAC Name: 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
• SMILES: c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1
• InChI: InChI=1S/2C55H33NO2.C55H35NO2.C36H21NO3/c1-2-16-35(17-3-1)56(47-28-14-27-46-51(47)42-22-6-10-26-45(42)55(46)43-24-8-4-19-38(43)39-20-5-9-25-44(39)55)36-18-12-15-34(33-36)37-23-13-30-49-52(37)53-50(57-49)32-31-41-40-21-7-11-29-48(40)58-54(41)53;1-2-15-35(16-3-1)56(37-28-29-42-41-20-6-10-25-47(41)55(48(42)33-37)45-23-8-4-18-39(45)40-19-5-9-24-46(40)55)36-17-12-14-34(32-36)38-22-13-27-50-52(38)53-51(57-50)31-30-44-43-21-7-11-26-49(43)58-54(44)53;1-4-17-37(18-5-1)55(38-19-6-2-7-20-38)47-27-12-10-24-43(47)44-31-30-41(35-48(44)55)56(39-21-8-3-9-22-39)40-23-14-16-36(34-40)42-26-15-29-50-52(42)53-51(57-50)33-32-46-45-25-11-13-28-49(45)58-54(46)53;1-4-12-29-25(8-1)26-20-21-33-35(36(26)40-29)34-24(9-7-15-32(34)39-33)22-16-18-23(19-17-22)37-27-10-2-5-13-30(27)38-31-14-6-3-11-28(31)37/h2*1-33H;1-35H;1-21H
• InChIKey: VAQYLROUNXFGDB-UHFFFAOYSA-N
• XLogP: 55.64
• TPSA: 127.31 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2737.21
LogP ≤ 5	55.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?

The IUPAC name of 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (CID 165080562) is 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

What is the SMILES notation for 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?

The canonical SMILES for 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.c1ccc(N(c2cccc(-c3cccc4oc5ccc6c7ccccc7oc6c5c34)c2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cccc3oc4ccc5c6ccccc6oc5c4c23)cc1.

What is the InChIKey of 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?

The InChIKey is VAQYLROUNXFGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H33NO2.C55H35NO2.C36H21NO3/c1-2-16-35(17-3-1)56(47-28-14-27-46-51(47)42-22-6-10-26-45(42)55(46)43-24-8-4-19-38(43)39-20-5-9-25-44(39)55)36-18-12-15-34(33-36)37-23-13-30-49-52(37)53-50(57-49)32-31-41-40-21-7-11-29-48(40)58-54(41)53;1-2-15-35(16-3-1)56(37-28-29-42-41-20-6-10-25-47(41)55(48(42)33-37)45-23-8-4-18-39(45)40-19-5-9-24-46(40)55)36-17-12-14-34(32-36)38-22-13-27-50-52(38)53-51(57-50)31-30-44-43-21-7-11-26-49(43)58-54(44)53;1-4-17-37(18-5-1)55(38-19-6-2-7-20-38)47-27-12-10-24-43(47)44-31-30-41(35-48(44)55)56(39-21-8-3-9-22-39)40-23-14-16-36(34-40)42-26-15-29-50-52(42)53-51(57-50)33-32-46-45-25-11-13-28-49(45)58-54(46)53;1-4-12-29-25(8-1)26-20-21-33-35(36(26)40-29)34-24(9-7-15-32(34)39-33)22-16-18-23(19-17-22)37-27-10-2-5-13-30(27)38-31-14-6-3-11-28(31)37/h2*1-33H;1-35H;1-21H.

What are the key properties of 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?

10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 2737.21 g/mol, XLogP of 55.64, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenoxazine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-4-amine;N-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 165080562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).