9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene

C152H114 — CID 158039423

About 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene

9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene (PubChem CID 158039423) has the molecular formula C152H114 and a molecular weight of 1940.58 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene.

Molecular Properties

• Compound Name: 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
• PubChem CID: 158039423
• Molecular Formula: C152H114
• Molecular Weight: 1940.58 g/mol
• Exact Mass: 1938.89
• IUPAC Name: 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene
• SMILES: CC1(C)c2ccccc2-c2cc(-c3cccc4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4ccccc34)cc21.Cc1ccc2c(-c3ccccc3)cc(C)cc2c1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc4c(ccc5ccccc54)c3)cccc2c1.c1ccc2cc(-c3cccc4ccccc34)ccc2c1.c1ccc2cc3cc(-c4cccc5ccccc45)ccc3cc2c1
• InChI: InChI=1S/2C25H20.2C24H16.C20H14.C18H16.C16H12/c1-25(2)23-13-6-5-11-21(23)22-16-18(14-15-24(22)25)20-12-7-9-17-8-3-4-10-19(17)20;1-25(2)23-13-6-5-11-21(23)22-15-14-18(16-24(22)25)20-12-7-9-17-8-3-4-10-19(17)20;1-3-9-21-17(6-1)8-5-11-23(21)20-14-15-24-19(16-20)13-12-18-7-2-4-10-22(18)24;1-2-8-19-15-22-16-21(13-12-20(22)14-18(19)7-1)24-11-5-9-17-6-3-4-10-23(17)24;1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20;1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2*3-16H,1-2H3;2*1-16H;1-14H;3-12H,1-2H3;1-12H
• InChIKey: FIDZLPOBCRTMDB-UHFFFAOYSA-N
• XLogP: 42.54
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1940.58
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene?

The IUPAC name of 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene (CID 158039423) is 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene.

What is the SMILES notation for 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene?

The canonical SMILES for 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene is CC1(C)c2ccccc2-c2cc(-c3cccc4ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4ccccc34)cc21.Cc1ccc2c(-c3ccccc3)cc(C)cc2c1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc4c(ccc5ccccc54)c3)cccc2c1.c1ccc2cc(-c3cccc4ccccc34)ccc2c1.c1ccc2cc3cc(-c4cccc5ccccc45)ccc3cc2c1.

What is the InChIKey of 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene?

The InChIKey is FIDZLPOBCRTMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H20.2C24H16.C20H14.C18H16.C16H12/c1-25(2)23-13-6-5-11-21(23)22-16-18(14-15-24(22)25)20-12-7-9-17-8-3-4-10-19(17)20;1-25(2)23-13-6-5-11-21(23)22-15-14-18(16-24(22)25)20-12-7-9-17-8-3-4-10-19(17)20;1-3-9-21-17(6-1)8-5-11-23(21)20-14-15-24-19(16-20)13-12-18-7-2-4-10-22(18)24;1-2-8-19-15-22-16-21(13-12-20(22)14-18(19)7-1)24-11-5-9-17-6-3-4-10-23(17)24;1-2-8-17-14-18(13-12-15(17)6-1)20-11-5-9-16-7-3-4-10-19(16)20;1-13-8-9-17-16(10-13)11-14(2)12-18(17)15-6-4-3-5-7-15;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2*3-16H,1-2H3;2*1-16H;1-14H;3-12H,1-2H3;1-12H.

What are the key properties of 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene?

9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene has a molecular weight of 1940.58 g/mol, XLogP of 42.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-2-naphthalen-1-ylfluorene;9,9-dimethyl-3-naphthalen-1-ylfluorene;3,6-dimethyl-1-phenylnaphthalene;2-naphthalen-1-ylanthracene;1-naphthalen-2-ylnaphthalene;2-naphthalen-1-ylphenanthrene;1-phenylnaphthalene is sourced from PubChem (CID 158039423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).