1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene

C140H128O4 — CID 158626161

IUPAC1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
SMILESCc1c(Oc2ccccc2)cccc1-c1ccccc1.Cc1cc(-c2ccccc2)ccc1Oc1ccccc1.Cc1cc(Oc2ccccc2)cc(-c2ccccc2)c1.Cc1cc(Oc2ccccc2)ccc1-c1ccccc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/4C19H16O.4C16H16/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)20-17-11-6-3-7-12-17;1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)20-18-10-6-3-7-11-18;1-15-14-17(16-8-4-2-5-9-16)12-13-19(15)20-18-10-6-3-7-11-18;1-15-14-18(20-17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4*2-14H,1H3;4*4-10H,1-3H3
InChIKeyHYPQDPFLQLSSMM-UHFFFAOYSA-N
MW1874.56 g/mol
LogP39.02
Rot. Bonds12

About 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene

1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (PubChem CID 158626161) has the molecular formula C140H128O4 and a molecular weight of 1874.56 g/mol. Its IUPAC name is 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.

Molecular Properties

Compound Name1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
PubChem CID158626161
Molecular FormulaC140H128O4
Molecular Weight1874.56 g/mol
Exact Mass1872.98
IUPAC Name1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
SMILESCc1c(Oc2ccccc2)cccc1-c1ccccc1.Cc1cc(-c2ccccc2)ccc1Oc1ccccc1.Cc1cc(Oc2ccccc2)cc(-c2ccccc2)c1.Cc1cc(Oc2ccccc2)ccc1-c1ccccc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/4C19H16O.4C16H16/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)20-17-11-6-3-7-12-17;1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)20-18-10-6-3-7-11-18;1-15-14-17(16-8-4-2-5-9-16)12-13-19(15)20-18-10-6-3-7-11-18;1-15-14-18(20-17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4*2-14H,1H3;4*4-10H,1-3H3
InChIKeyHYPQDPFLQLSSMM-UHFFFAOYSA-N
XLogP39.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001874.56
LogP ≤ 539.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene with MolForge

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Related Compounds

9,9-dimethyl-2-(3-methylphenyl)fluorene;9,9-dimethyl-2-(4-methylphenyl)fluorene;1,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;1,9,9-trimethyl-7-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 159835700
1,9,9-trimethyl-4-phenylfluorene;1,9,9-trimethyl-7-phenylfluorene;2,9,9-trimethyl-7-phenylfluorene;4,9,9-trimethyl-2-phenylfluorene;5,9,9-trimethyl-2-phenylfluorene;6,9,9-trimethyl-2-phenylfluorene
CID 158427752
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;2,9,9-trimethyl-5-phenylfluorene
CID 161175063
5-(4-methylphenyl)-3,9-diphenylcarbazole;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 162007597
1,4-bis(4-methylphenyl)benzene;1,4-dimethyl-2,5-diphenylbenzene;2,3-dimethyl-1,4-diphenylbenzene;1,2-dimethyl-4-phenoxybenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene
CID 157496457
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
9,9-dimethyl-2-(4-methylphenyl)fluorene;1-methyl-4-phenylbenzene;2,6,6,12,12-pentamethyl-7-phenylindeno[1,2-b]fluorene
CID 142541100
9,9-dimethyl-1-(2-methylphenyl)fluorene;9,9-dimethyl-1-(3-methylphenyl)fluorene;9,9-dimethyl-3-(2-methylphenyl)fluorene;9,9-dimethyl-3-(3-methylphenyl)fluorene;9,9-dimethyl-3-(4-methylphenyl)fluorene;3,9,9-trimethyl-4-phenylfluorene
CID 157253194
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
1,3-dimethyl-2-(4-methylphenyl)benzene;1,3-dimethyl-5-(4-methylphenyl)benzene;2-(3,5-dimethylphenyl)-1,3,5-trimethylbenzene;2-fluoro-7,9,9-trimethylfluorene;1,2,3,9,9-pentamethylfluorene;1,3,7,9,9-pentamethylfluorene;2,4,9,9-tetramethylfluorene
CID 158907095

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The IUPAC name of 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene (CID 158626161) is 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene.
What is the SMILES notation for 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The canonical SMILES for 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene is Cc1c(Oc2ccccc2)cccc1-c1ccccc1.Cc1cc(-c2ccccc2)ccc1Oc1ccccc1.Cc1cc(Oc2ccccc2)cc(-c2ccccc2)c1.Cc1cc(Oc2ccccc2)ccc1-c1ccccc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1cccc2c1-c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
The InChIKey is HYPQDPFLQLSSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H16O.4C16H16/c1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)20-17-11-6-3-7-12-17;1-15-12-17(16-8-4-2-5-9-16)14-19(13-15)20-18-10-6-3-7-11-18;1-15-14-17(16-8-4-2-5-9-16)12-13-19(15)20-18-10-6-3-7-11-18;1-15-14-18(20-17-10-6-3-7-11-17)12-13-19(15)16-8-4-2-5-9-16;1-11-7-6-9-13-12-8-4-5-10-14(12)16(2,3)15(11)13;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11/h4*2-14H,1H3;4*4-10H,1-3H3.
What are the key properties of 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene?
1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene has a molecular weight of 1874.56 g/mol, XLogP of 39.02, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenoxy-5-phenylbenzene;2-methyl-1-phenoxy-3-phenylbenzene;2-methyl-1-phenoxy-4-phenylbenzene;2-methyl-4-phenoxy-1-phenylbenzene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene is sourced from PubChem (CID 158626161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).