6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

C186H123F3N6O3 — CID 157132284

About 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 157132284) has the molecular formula C186H123F3N6O3 and a molecular weight of 2547.06 g/mol. Its IUPAC name is 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

• Compound Name: 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
• PubChem CID: 157132284
• Molecular Formula: C186H123F3N6O3
• Molecular Weight: 2547.06 g/mol
• Exact Mass: 2544.96
• IUPAC Name: 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
• SMILES: Cc1cc(N(c2ccccc2)c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccc5ccc6cccc7oc4c5c67)c4ccc1c2c34.Cc1cc(N(c2ccccc2)c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccc5oc6cccc7ccc4c5c76)c4ccc1c2c34.Cc1cc(N(c2ccccc2)c2cc3ccc4cccc5oc(c2)c3c45)c2ccc3c(C)cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)c4ccc1c2c34
• InChI: InChI=1S/3C62H41FN2O/c1-38-34-54(64(45-21-11-5-12-22-45)53-33-28-43-27-26-42-20-15-25-56-57(42)58(43)62(53)66-56)49-31-29-48-39(2)35-55(50-32-30-47(38)59(49)60(48)50)65(46-23-13-6-14-24-46)61-51(41-18-9-4-10-19-41)36-44(37-52(61)63)40-16-7-3-8-17-40;1-38-32-54(64(45-21-11-5-12-22-45)47-34-43-27-26-42-20-15-25-56-58(42)59(43)57(37-47)66-56)50-30-28-49-39(2)33-55(51-31-29-48(38)60(50)61(49)51)65(46-23-13-6-14-24-46)62-52(41-18-9-4-10-19-41)35-44(36-53(62)63)40-16-7-3-8-17-40;1-38-34-54(64(44-21-11-5-12-22-44)53-32-33-57-61-48(53)27-26-42-20-15-25-56(66-57)58(42)61)49-30-28-47-39(2)35-55(50-31-29-46(38)59(49)60(47)50)65(45-23-13-6-14-24-45)62-51(41-18-9-4-10-19-41)36-43(37-52(62)63)40-16-7-3-8-17-40/h3*3-37H,1-2H3
• InChIKey: AJFDEZKVRLPTMB-UHFFFAOYSA-N
• XLogP: 54.31
• TPSA: 58.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2547.06
LogP ≤ 5	54.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The IUPAC name of 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 157132284) is 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

What is the SMILES notation for 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The canonical SMILES for 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1cc(N(c2ccccc2)c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccc5ccc6cccc7oc4c5c67)c4ccc1c2c34.Cc1cc(N(c2ccccc2)c2c(F)cc(-c3ccccc3)cc2-c2ccccc2)c2ccc3c(C)cc(N(c4ccccc4)c4ccc5oc6cccc7ccc4c5c76)c4ccc1c2c34.Cc1cc(N(c2ccccc2)c2cc3ccc4cccc5oc(c2)c3c45)c2ccc3c(C)cc(N(c4ccccc4)c4c(F)cc(-c5ccccc5)cc4-c4ccccc4)c4ccc1c2c34.

What is the InChIKey of 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The InChIKey is AJFDEZKVRLPTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C62H41FN2O/c1-38-34-54(64(45-21-11-5-12-22-45)53-33-28-43-27-26-42-20-15-25-56-57(42)58(43)62(53)66-56)49-31-29-48-39(2)35-55(50-32-30-47(38)59(49)60(48)50)65(46-23-13-6-14-24-46)61-51(41-18-9-4-10-19-41)36-44(37-52(61)63)40-16-7-3-8-17-40;1-38-32-54(64(45-21-11-5-12-22-45)47-34-43-27-26-42-20-15-25-56-58(42)59(43)57(37-47)66-56)50-30-28-49-39(2)33-55(51-31-29-48(38)60(50)61(49)51)65(46-23-13-6-14-24-46)62-52(41-18-9-4-10-19-41)35-44(36-53(62)63)40-16-7-3-8-17-40;1-38-34-54(64(44-21-11-5-12-22-44)53-32-33-57-61-48(53)27-26-42-20-15-25-56(66-57)58(42)61)49-30-28-47-39(2)35-55(50-31-29-46(38)59(49)60(47)50)65(45-23-13-6-14-24-45)62-51(41-18-9-4-10-19-41)36-43(37-52(62)63)40-16-7-3-8-17-40/h3*3-37H,1-2H3.

What are the key properties of 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 2547.06 g/mol, XLogP of 54.31, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;6-N-(2-fluoro-4,6-diphenylphenyl)-3,8-dimethyl-1-N-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 157132284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).