4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

C186H122FN9O4 — CID 160503106

About 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine

4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (PubChem CID 160503106) has the molecular formula C186H122FN9O4 and a molecular weight of 2566.08 g/mol. Its IUPAC name is 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

Molecular Properties

• Compound Name: 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• PubChem CID: 160503106
• Molecular Formula: C186H122FN9O4
• Molecular Weight: 2566.08 g/mol
• Exact Mass: 2563.96
• IUPAC Name: 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccn4)c4ccccc4-c4ccccc4)cc3O6)cc21.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O4.c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3cccc5c3oc3ccccc35)cc42)c2ccccn2)cc1
• InChI: InChI=1S/C65H42FN3O.C62H43N3O.C59H37N3O2/c66-58-39-46(43-20-5-1-6-21-43)38-54(45-24-9-3-10-25-45)65(58)69(47-26-11-4-12-27-47)60-42-56-53-31-19-33-61-64(53)57(41-55(56)50-29-13-14-30-51(50)60)52-36-35-48(40-62(52)70-61)68(63-34-17-18-37-67-63)59-32-16-15-28-49(59)44-22-7-2-8-23-44;1-62(2)54-27-13-11-24-46(54)47-33-31-42(36-55(47)62)64(41-20-7-4-8-21-41)57-39-52-50-26-17-29-58-61(50)53(38-51(52)45-23-9-10-25-48(45)57)49-34-32-43(37-59(49)66-58)65(60-30-15-16-35-63-60)56-28-14-12-22-44(56)40-18-5-3-6-19-40;1-3-17-38(18-4-1)41-21-9-11-27-51(41)62(57-31-13-14-34-60-57)40-32-33-45-50-36-48-42-22-7-8-23-43(42)53(37-49(48)46-25-16-30-55(58(46)50)63-56(45)35-40)61(39-19-5-2-6-20-39)52-28-15-26-47-44-24-10-12-29-54(44)64-59(47)52/h1-42H;3-39H,1-2H3;1-37H
• InChIKey: QSAUTFLOAMPVIM-UHFFFAOYSA-N
• XLogP: 52.44
• TPSA: 98.94 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2566.08
LogP ≤ 5	52.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The IUPAC name of 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine (CID 160503106) is 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine.

What is the SMILES notation for 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The canonical SMILES for 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ccc(N(c4ccccn4)c4ccccc4-c4ccccc4)cc3O6)cc21.Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1cc2c3cccc4c3c(cc2c2ccccc12)-c1ccc(N(c2ccccn2)c2ccccc2-c2ccccc2)cc1O4.c1ccc(-c2ccccc2N(c2ccc3c(c2)Oc2cccc4c2c-3cc2c3ccccc3c(N(c3ccccc3)c3cccc5c3oc3ccccc35)cc42)c2ccccn2)cc1.

What is the InChIKey of 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

The InChIKey is QSAUTFLOAMPVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42FN3O.C62H43N3O.C59H37N3O2/c66-58-39-46(43-20-5-1-6-21-43)38-54(45-24-9-3-10-25-45)65(58)69(47-26-11-4-12-27-47)60-42-56-53-31-19-33-61-64(53)57(41-55(56)50-29-13-14-30-51(50)60)52-36-35-48(40-62(52)70-61)68(63-34-17-18-37-67-63)59-32-16-15-28-49(59)44-22-7-2-8-23-44;1-62(2)54-27-13-11-24-46(54)47-33-31-42(36-55(47)62)64(41-20-7-4-8-21-41)57-39-52-50-26-17-29-58-61(50)53(38-51(52)45-23-9-10-25-48(45)57)49-34-32-43(37-59(49)66-58)65(60-30-15-16-35-63-60)56-28-14-12-22-44(56)40-18-5-3-6-19-40;1-3-17-38(18-4-1)41-21-9-11-27-51(41)62(57-31-13-14-34-60-57)40-32-33-45-50-36-48-42-22-7-8-23-43(42)53(37-49(48)46-25-16-30-55(58(46)50)63-56(45)35-40)61(39-19-5-2-6-20-39)52-28-15-26-47-44-24-10-12-29-54(44)64-59(47)52/h1-42H;3-39H,1-2H3;1-37H.

What are the key properties of 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine?

4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine has a molecular weight of 2566.08 g/mol, XLogP of 52.44, 23 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-dibenzofuran-4-yl-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine;4-N-(2-fluoro-4,6-diphenylphenyl)-4-N-phenyl-17-N-(2-phenylphenyl)-17-N-pyridin-2-yl-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine is sourced from PubChem (CID 160503106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).