N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine

C120H73N3O4S — CID 165091586

About N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine

N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine (PubChem CID 165091586) has the molecular formula C120H73N3O4S and a molecular weight of 1652.99 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine
• PubChem CID: 165091586
• Molecular Formula: C120H73N3O4S
• Molecular Weight: 1652.99 g/mol
• Exact Mass: 1651.53
• IUPAC Name: N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine
• SMILES: c1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)cc1
• InChI: InChI=1S/C42H25NO2.C42H25NOS.C36H23NO/c1-2-11-27(12-3-1)43(35-17-10-20-38-41(35)33-16-7-8-18-36(33)44-38)28-22-24-29-26(25-28)21-23-34-39(29)30-13-4-5-14-31(30)40-32-15-6-9-19-37(32)45-42(34)40;1-2-11-27(12-3-1)43(35-17-10-20-38-41(35)33-16-7-9-19-37(33)45-38)28-22-24-29-26(25-28)21-23-34-39(29)30-13-4-5-14-31(30)40-32-15-6-8-18-36(32)44-42(34)40;1-3-11-25(12-4-1)37(26-13-5-2-6-14-26)27-20-22-28-24(23-27)19-21-32-34(28)29-15-7-8-16-30(29)35-31-17-9-10-18-33(31)38-36(32)35/h2*1-25H;1-23H
• InChIKey: WULGWXWYRJVKIE-UHFFFAOYSA-N
• XLogP: 35.81
• TPSA: 62.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1652.99
LogP ≤ 5	35.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine?

The IUPAC name of N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine (CID 165091586) is N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine?

The canonical SMILES for N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine is c1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3oc4ccccc4c23)cc1.c1ccc(N(c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)c2cccc3sc4ccccc4c23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(ccc4c5oc6ccccc6c5c5ccccc5c34)c2)cc1.

What is the InChIKey of N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine?

The InChIKey is WULGWXWYRJVKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2.C42H25NOS.C36H23NO/c1-2-11-27(12-3-1)43(35-17-10-20-38-41(35)33-16-7-8-18-36(33)44-38)28-22-24-29-26(25-28)21-23-34-39(29)30-13-4-5-14-31(30)40-32-15-6-9-19-37(32)45-42(34)40;1-2-11-27(12-3-1)43(35-17-10-20-38-41(35)33-16-7-9-19-37(33)45-38)28-22-24-29-26(25-28)21-23-34-39(29)30-13-4-5-14-31(30)40-32-15-6-8-18-36(32)44-42(34)40;1-3-11-25(12-4-1)37(26-13-5-2-6-14-26)27-20-22-28-24(23-27)19-21-32-34(28)29-15-7-8-16-30(29)35-31-17-9-10-18-33(31)38-36(32)35/h2*1-25H;1-23H.

What are the key properties of N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine?

N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine has a molecular weight of 1652.99 g/mol, XLogP of 35.81, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N-dibenzothiophen-1-yl-N-phenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine;N,N-diphenyl-3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-amine is sourced from PubChem (CID 165091586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).