5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline

C198H138N6O6 — CID 157230517

About 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline

5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline (PubChem CID 157230517) has the molecular formula C198H138N6O6 and a molecular weight of 2697.32 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline.

Molecular Properties

• Compound Name: 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline
• PubChem CID: 157230517
• Molecular Formula: C198H138N6O6
• Molecular Weight: 2697.32 g/mol
• Exact Mass: 2695.07
• IUPAC Name: 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline
• SMILES: CC1(C)c2ccccc2-c2ccc(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cc21.Cc1cc(C)cc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)c1.Cc1ccc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)cc1.Cc1ccc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)cc1C.c1ccc(-c2ccc(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cc2)cc1.c1ccc2c(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cccc2c1
• InChI: InChI=1S/C38H27NO.C35H23NO.C33H21NO.2C31H23NO.C30H21NO/c1-38(2)34-17-8-7-13-27(34)28-19-18-25(22-35(28)38)40-37-31-15-6-5-14-30(31)36(33-23-39-21-20-32(33)37)29-16-9-11-24-10-3-4-12-26(24)29;1-2-9-24(10-3-1)25-17-19-27(20-18-25)37-35-31-15-7-6-14-30(31)34(33-23-36-22-21-32(33)35)29-16-8-12-26-11-4-5-13-28(26)29;1-3-13-24-22(9-1)11-7-17-26(24)32-27-15-5-6-16-28(27)33(29-19-20-34-21-30(29)32)35-31-18-8-12-23-10-2-4-14-25(23)31;1-20-16-21(2)18-23(17-20)33-31-27-12-6-5-11-26(27)30(29-19-32-15-14-28(29)31)25-13-7-9-22-8-3-4-10-24(22)25;1-20-14-15-23(18-21(20)2)33-31-27-12-6-5-11-26(27)30(29-19-32-17-16-28(29)31)25-13-7-9-22-8-3-4-10-24(22)25;1-20-13-15-22(16-14-20)32-30-26-11-5-4-10-25(26)29(28-19-31-18-17-27(28)30)24-12-6-8-21-7-2-3-9-23(21)24/h3-23H,1-2H3;1-23H;1-21H;2*3-19H,1-2H3;2-19H,1H3
• InChIKey: AUAWHDMLKVDDGH-UHFFFAOYSA-N
• XLogP: 54.67
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2697.32
LogP ≤ 5	54.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline?

The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline (CID 157230517) is 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline.

What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline?

The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline is CC1(C)c2ccccc2-c2ccc(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cc21.Cc1cc(C)cc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)c1.Cc1ccc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)cc1.Cc1ccc(Oc2c3ccccc3c(-c3cccc4ccccc34)c3cnccc23)cc1C.c1ccc(-c2ccc(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cc2)cc1.c1ccc2c(Oc3c4ccccc4c(-c4cccc5ccccc45)c4cnccc34)cccc2c1.

What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline?

The InChIKey is AUAWHDMLKVDDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO.C35H23NO.C33H21NO.2C31H23NO.C30H21NO/c1-38(2)34-17-8-7-13-27(34)28-19-18-25(22-35(28)38)40-37-31-15-6-5-14-30(31)36(33-23-39-21-20-32(33)37)29-16-9-11-24-10-3-4-12-26(24)29;1-2-9-24(10-3-1)25-17-19-27(20-18-25)37-35-31-15-7-6-14-30(31)34(33-23-36-22-21-32(33)35)29-16-8-12-26-11-4-5-13-28(26)29;1-3-13-24-22(9-1)11-7-17-26(24)32-27-15-5-6-16-28(27)33(29-19-20-34-21-30(29)32)35-31-18-8-12-23-10-2-4-14-25(23)31;1-20-16-21(2)18-23(17-20)33-31-27-12-6-5-11-26(27)30(29-19-32-15-14-28(29)31)25-13-7-9-22-8-3-4-10-24(22)25;1-20-14-15-23(18-21(20)2)33-31-27-12-6-5-11-26(27)30(29-19-32-17-16-28(29)31)25-13-7-9-22-8-3-4-10-24(22)25;1-20-13-15-22(16-14-20)32-30-26-11-5-4-10-25(26)29(28-19-31-18-17-27(28)30)24-12-6-8-21-7-2-3-9-23(21)24/h3-23H,1-2H3;1-23H;1-21H;2*3-19H,1-2H3;2-19H,1H3.

What are the key properties of 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline?

5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline has a molecular weight of 2697.32 g/mol, XLogP of 54.67, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-dimethylfluoren-2-yl)oxy-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,4-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(3,5-dimethylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;5-(4-methylphenoxy)-10-naphthalen-1-ylbenzo[g]isoquinoline;10-naphthalen-1-yl-5-naphthalen-1-yloxybenzo[g]isoquinoline;10-naphthalen-1-yl-5-(4-phenylphenoxy)benzo[g]isoquinoline is sourced from PubChem (CID 157230517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).