7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one

C154H101N7O12 — CID 165029025

About 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one

7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one (PubChem CID 165029025) has the molecular formula C154H101N7O12 and a molecular weight of 2241.54 g/mol. Its IUPAC name is 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one.

Molecular Properties

• Compound Name: 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one
• PubChem CID: 165029025
• Molecular Formula: C154H101N7O12
• Molecular Weight: 2241.54 g/mol
• Exact Mass: 2239.75
• IUPAC Name: 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one
• SMILES: N#Cc1ccc2c(=O)c3cc4c(cc3oc2c1)oc1cc(N(c2ccccc2)c2ccccc2)ccc14.O=c1c2cc(-c3ccccc3)c(-c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.O=c1c2ccc(N(c3ccccc3)c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.O=c1c2ccc(N3CCCCC3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12
• InChI: InChI=1S/C43H28N2O3.C43H27NO3.C36H28N2O3.C32H18N2O3/c46-43-36-24-22-34(45(31-17-9-3-10-18-31)32-19-11-4-12-20-32)26-40(36)48-42-28-41-37(27-38(42)43)35-23-21-33(25-39(35)47-41)44(29-13-5-1-6-14-29)30-15-7-2-8-16-30;45-43-37-24-34(28-13-5-1-6-14-28)35(29-15-7-2-8-16-29)26-40(37)47-42-27-41-36(25-38(42)43)33-22-21-32(23-39(33)46-41)44(30-17-9-3-10-18-30)31-19-11-4-12-20-31;39-36-29-17-14-26(37-18-8-3-9-19-37)20-33(29)41-35-23-34-30(22-31(35)36)28-16-15-27(21-32(28)40-34)38(24-10-4-1-5-11-24)25-12-6-2-7-13-25;33-19-20-11-13-25-28(15-20)36-31-18-30-26(17-27(31)32(25)35)24-14-12-23(16-29(24)37-30)34(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-28H;1-27H;1-2,4-7,10-17,20-23H,3,8-9,18-19H2;1-18H
• InChIKey: MISJEQOLTYBVBU-UHFFFAOYSA-N
• XLogP: 40.93
• TPSA: 216.63 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.54
LogP ≤ 5	40.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one?

The IUPAC name of 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one (CID 165029025) is 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one.

What is the SMILES notation for 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one?

The canonical SMILES for 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one is N#Cc1ccc2c(=O)c3cc4c(cc3oc2c1)oc1cc(N(c2ccccc2)c2ccccc2)ccc14.O=c1c2cc(-c3ccccc3)c(-c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.O=c1c2ccc(N(c3ccccc3)c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.O=c1c2ccc(N3CCCCC3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.

What is the InChIKey of 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one?

The InChIKey is MISJEQOLTYBVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O3.C43H27NO3.C36H28N2O3.C32H18N2O3/c46-43-36-24-22-34(45(31-17-9-3-10-18-31)32-19-11-4-12-20-32)26-40(36)48-42-28-41-37(27-38(42)43)35-23-21-33(25-39(35)47-41)44(29-13-5-1-6-14-29)30-15-7-2-8-16-30;45-43-37-24-34(28-13-5-1-6-14-28)35(29-15-7-2-8-16-29)26-40(37)47-42-27-41-36(25-38(42)43)33-22-21-32(23-39(33)46-41)44(30-17-9-3-10-18-30)31-19-11-4-12-20-31;39-36-29-17-14-26(37-18-8-3-9-19-37)20-33(29)41-35-23-34-30(22-31(35)36)28-16-15-27(21-32(28)40-34)38(24-10-4-1-5-11-24)25-12-6-2-7-13-25;33-19-20-11-13-25-28(15-20)36-31-18-30-26(17-27(31)32(25)35)24-14-12-23(16-29(24)37-30)34(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-28H;1-27H;1-2,4-7,10-17,20-23H,3,8-9,18-19H2;1-18H.

What are the key properties of 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one?

7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one has a molecular weight of 2241.54 g/mol, XLogP of 40.93, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one is sourced from PubChem (CID 165029025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).