13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

C115H68Cl2FN3O5 — CID 158536422

About 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine

13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (PubChem CID 158536422) has the molecular formula C115H68Cl2FN3O5 and a molecular weight of 1661.73 g/mol. Its IUPAC name is 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

Molecular Properties

• Compound Name: 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
• PubChem CID: 158536422
• Molecular Formula: C115H68Cl2FN3O5
• Molecular Weight: 1661.73 g/mol
• Exact Mass: 1659.45
• IUPAC Name: 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
• SMILES: Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Clc1cc2c3c(ccc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c5cccc(c5c43)O2)c1.Fc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1cc2c3c(ccc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c5cccc(c5c43)O2)c1
• InChI: InChI=1S/C60H37FN2O2.C36H20ClNO2.C19H11ClO/c61-59-49(39-19-7-2-8-20-39)34-42(38-17-5-1-6-18-38)36-52(59)62(43-21-9-3-10-22-43)45-33-40-31-32-41-35-51(48-27-16-30-54-58(48)57(41)56(40)55(37-45)64-54)63(44-23-11-4-12-24-44)50-28-15-26-47-46-25-13-14-29-53(46)65-60(47)50;37-23-18-21-16-17-22-19-29(27-12-7-15-31-35(27)34(22)33(21)32(20-23)39-31)38(24-8-2-1-3-9-24)28-13-6-11-26-25-10-4-5-14-30(25)40-36(26)28;1-10-7-11-5-6-12-8-13(20)9-16-17(12)18(11)19-14(10)3-2-4-15(19)21-16/h1-37H;1-20H;2-9H,1H3
• InChIKey: HNZOGTMJBGMHSK-UHFFFAOYSA-N
• XLogP: 35.05
• TPSA: 63.69 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1661.73
LogP ≤ 5	35.05
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 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The IUPAC name of 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine (CID 158536422) is 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine.

What is the SMILES notation for 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The canonical SMILES for 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is Cc1cc2ccc3cc(Cl)cc4c3c2c2c(cccc12)O4.Clc1cc2c3c(ccc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c5cccc(c5c43)O2)c1.Fc1c(-c2ccccc2)cc(-c2ccccc2)cc1N(c1ccccc1)c1cc2c3c(ccc4cc(N(c5ccccc5)c5cccc6c5oc5ccccc56)c5cccc(c5c43)O2)c1.

What is the InChIKey of 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

The InChIKey is HNZOGTMJBGMHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37FN2O2.C36H20ClNO2.C19H11ClO/c61-59-49(39-19-7-2-8-20-39)34-42(38-17-5-1-6-18-38)36-52(59)62(43-21-9-3-10-22-43)45-33-40-31-32-41-35-51(48-27-16-30-54-58(48)57(41)56(40)55(37-45)64-54)63(44-23-11-4-12-24-44)50-28-15-26-47-46-25-13-14-29-53(46)65-60(47)50;37-23-18-21-16-17-22-19-29(27-12-7-15-31-35(27)34(22)33(21)32(20-23)39-31)38(24-8-2-1-3-9-24)28-13-6-11-26-25-10-4-5-14-30(25)40-36(26)28;1-10-7-11-5-6-12-8-13(20)9-16-17(12)18(11)19-14(10)3-2-4-15(19)21-16/h1-37H;1-20H;2-9H,1H3.

What are the key properties of 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine?

13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine has a molecular weight of 1661.73 g/mol, XLogP of 35.05, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 13-chloro-N-dibenzofuran-4-yl-N-phenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-6-amine;3-chloro-10-methyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),9,11(16),12,14-nonaene;10-N-dibenzofuran-4-yl-3-N-(2-fluoro-3,5-diphenylphenyl)-3-N,10-N-diphenyl-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine is sourced from PubChem (CID 158536422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).