1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene

C176H156 — CID 159648180

IUPAC1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene
SMILESC=C1c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1
InChIInChI=1S/C27H22.C20H16.4C20H18.C17H18.2C16H14/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-4-6-13-14-7-5-11(2)9-16(14)12(3)15(13)8-10/h3-18H,1-2H3;3-12H,1-2H3;4*3-14H,1-2H3;5-10H,1-4H3;3-10H,1-2H3;4-9H,3H2,1-2H3
InChIKeyMRFKADDLJAHVNN-UHFFFAOYSA-N
MW2271.18 g/mol
LogP48.54
Rot. Bonds10

About 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene

1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene (PubChem CID 159648180) has the molecular formula C176H156 and a molecular weight of 2271.18 g/mol. Its IUPAC name is 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene.

Molecular Properties

Compound Name1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene
PubChem CID159648180
Molecular FormulaC176H156
Molecular Weight2271.18 g/mol
Exact Mass2269.22
IUPAC Name1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene
SMILESC=C1c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1
InChIInChI=1S/C27H22.C20H16.4C20H18.C17H18.2C16H14/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-4-6-13-14-7-5-11(2)9-16(14)12(3)15(13)8-10/h3-18H,1-2H3;3-12H,1-2H3;4*3-14H,1-2H3;5-10H,1-4H3;3-10H,1-2H3;4-9H,3H2,1-2H3
InChIKeyMRFKADDLJAHVNN-UHFFFAOYSA-N
XLogP48.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002271.18
LogP ≤ 548.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene with MolForge

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Related Compounds

2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
2-[3-[6-(9,9-dimethyl-7-phenylfluoren-2-yl)naphthalen-2-yl]phenyl]triphenylene
CID 58569367
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
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
N,N-bis(4-phenanthren-2-ylphenyl)triphenylen-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenanthren-2-ylphenyl)phenanthren-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 163978822
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
2-[9,9-bis(4-methylphenyl)-7-triphenylen-2-ylfluoren-2-yl]triphenylene
CID 58795241
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-methyl-9,9-diphenylfluorene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];2,9,9-trimethylfluorene
CID 158540560
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene?
The IUPAC name of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene (CID 159648180) is 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene.
What is the SMILES notation for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene?
The canonical SMILES for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene is C=C1c2cc(C)ccc2-c2ccc(C)cc21.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc(C)cc3)c2)cc1.Cc1ccc(-c2cccc(-c3cccc(C)c3)c2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.Cc1ccc2c(ccc3cc(C)ccc32)c1.Cc1ccc2c3ccc(C)cc3c3ccccc3c2c1.Cc1cccc(-c2cccc(-c3cccc(C)c3)c2)c1.
What is the InChIKey of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene?
The InChIKey is MRFKADDLJAHVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.C20H16.4C20H18.C17H18.2C16H14/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;1-13-7-9-17-18-10-8-14(2)12-20(18)16-6-4-3-5-15(16)19(17)11-13;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-15-6-3-8-17(12-15)19-10-5-11-20(14-19)18-9-4-7-16(2)13-18;1-15-9-11-17(12-10-15)19-7-4-8-20(14-19)18-6-3-5-16(2)13-18;1-15-6-10-17(11-7-15)19-4-3-5-20(14-19)18-12-8-16(2)9-13-18;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15;1-10-4-6-13-14-7-5-11(2)9-16(14)12(3)15(13)8-10/h3-18H,1-2H3;3-12H,1-2H3;4*3-14H,1-2H3;5-10H,1-4H3;3-10H,1-2H3;4-9H,3H2,1-2H3.
What are the key properties of 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene?
1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene has a molecular weight of 2271.18 g/mol, XLogP of 48.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylphenyl)benzene;1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9,9-diphenylfluorene;2,7-dimethyl-9-methylidenefluorene;2,7-dimethylphenanthrene;2,7-dimethyltriphenylene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;2,7,9,9-tetramethylfluorene is sourced from PubChem (CID 159648180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).