9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene

C231H222 — CID 161427401

IUPAC9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)CCc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)CCc1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/2C32H24.C25H18.2C22H20.2C21H18.2C20H16.8C2H6/c1-23-17-19-28-29-20-18-25(24-11-5-2-6-12-24)22-31(29)32(30(28)21-23,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-23-16-18-24(19-17-23)25-20-21-29-28-14-8-9-15-30(28)32(31(29)22-25,26-10-4-2-5-11-26)27-12-6-3-7-13-27;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-15-9-11-18-19-12-10-17(16-7-5-4-6-8-16)14-21(19)22(2,3)20(18)13-15;1-15-6-8-16(9-7-15)18-12-13-21-19(14-18)11-10-17-4-2-3-5-20(17)21;1-15-7-11-20-18(13-15)8-9-19-14-17(10-12-21(19)20)16-5-3-2-4-6-16;1-14-6-8-15(9-7-14)16-10-11-20-18(12-16)13-17-4-2-3-5-19(17)20;1-14-7-9-19-17(11-14)13-18-12-16(8-10-20(18)19)15-5-3-2-4-6-15;8*1-2/h2*2-22H,1H3;2-16H,1H3;2*4-14H,1-3H3;2-9,12-14H,10-11H2,1H3;2-7,10-14H,8-9H2,1H3;2*2-12H,13H2,1H3;8*1-2H3
InChIKeyVXNWQIMXKUJEQP-UHFFFAOYSA-N
MW2998.32 g/mol
LogP64.64
Rot. Bonds13

About 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene

9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene (PubChem CID 161427401) has the molecular formula C231H222 and a molecular weight of 2998.32 g/mol. Its IUPAC name is 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene
PubChem CID161427401
Molecular FormulaC231H222
Molecular Weight2998.32 g/mol
Exact Mass2995.74
IUPAC Name9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)CCc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)CCc1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/2C32H24.C25H18.2C22H20.2C21H18.2C20H16.8C2H6/c1-23-17-19-28-29-20-18-25(24-11-5-2-6-12-24)22-31(29)32(30(28)21-23,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-23-16-18-24(19-17-23)25-20-21-29-28-14-8-9-15-30(28)32(31(29)22-25,26-10-4-2-5-11-26)27-12-6-3-7-13-27;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-15-9-11-18-19-12-10-17(16-7-5-4-6-8-16)14-21(19)22(2,3)20(18)13-15;1-15-6-8-16(9-7-15)18-12-13-21-19(14-18)11-10-17-4-2-3-5-20(17)21;1-15-7-11-20-18(13-15)8-9-19-14-17(10-12-21(19)20)16-5-3-2-4-6-16;1-14-6-8-15(9-7-14)16-10-11-20-18(12-16)13-17-4-2-3-5-19(17)20;1-14-7-9-19-17(11-14)13-18-12-16(8-10-20(18)19)15-5-3-2-4-6-15;8*1-2/h2*2-22H,1H3;2-16H,1H3;2*4-14H,1-3H3;2-9,12-14H,10-11H2,1H3;2-7,10-14H,8-9H2,1H3;2*2-12H,13H2,1H3;8*1-2H3
InChIKeyVXNWQIMXKUJEQP-UHFFFAOYSA-N
XLogP64.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002998.32
LogP ≤ 564.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene?
The IUPAC name of 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene (CID 161427401) is 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene.
What is the SMILES notation for 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene?
The canonical SMILES for 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene is CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)CCc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)CCc1cc(-c3ccccc3)ccc1-2.Cc1ccc2c(c1)Cc1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene?
The InChIKey is VXNWQIMXKUJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H24.C25H18.2C22H20.2C21H18.2C20H16.8C2H6/c1-23-17-19-28-29-20-18-25(24-11-5-2-6-12-24)22-31(29)32(30(28)21-23,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-23-16-18-24(19-17-23)25-20-21-29-28-14-8-9-15-30(28)32(31(29)22-25,26-10-4-2-5-11-26)27-12-6-3-7-13-27;1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-15-8-10-16(11-9-15)17-12-13-19-18-6-4-5-7-20(18)22(2,3)21(19)14-17;1-15-9-11-18-19-12-10-17(16-7-5-4-6-8-16)14-21(19)22(2,3)20(18)13-15;1-15-6-8-16(9-7-15)18-12-13-21-19(14-18)11-10-17-4-2-3-5-20(17)21;1-15-7-11-20-18(13-15)8-9-19-14-17(10-12-21(19)20)16-5-3-2-4-6-16;1-14-6-8-15(9-7-14)16-10-11-20-18(12-16)13-17-4-2-3-5-19(17)20;1-14-7-9-19-17(11-14)13-18-12-16(8-10-20(18)19)15-5-3-2-4-6-15;8*1-2/h2*2-22H,1H3;2-16H,1H3;2*4-14H,1-3H3;2-9,12-14H,10-11H2,1H3;2-7,10-14H,8-9H2,1H3;2*2-12H,13H2,1H3;8*1-2H3.
What are the key properties of 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene?
9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene has a molecular weight of 2998.32 g/mol, XLogP of 64.64, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-(4-methylphenyl)fluorene;ethane;2-(4-methylphenyl)-9,10-dihydrophenanthrene;2-methyl-7-phenyl-9,10-dihydrophenanthrene;2-(4-methylphenyl)-9,9-diphenylfluorene;2-(4-methylphenyl)-9H-fluorene;2-methyl-7-phenyl-9H-fluorene;2-(4-methylphenyl)triphenylene;2-methyl-7,9,9-triphenylfluorene;2,9,9-trimethyl-7-phenylfluorene is sourced from PubChem (CID 161427401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).