2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene

C103H95NO2 — CID 158966144

IUPAC2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2ccccc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1
InChIInChI=1S/C16H16.2C13H10O.2C13H12.2C11H10.C7H8.C6H7N/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6/h4-10H,1-3H3;2*2-8H,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3;2-5H,1H3
InChIKeyJNFNYXGIQVIDTC-UHFFFAOYSA-N
MW1378.90 g/mol
LogP29.10
Rot. Bonds2

About 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene

2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene (PubChem CID 158966144) has the molecular formula C103H95NO2 and a molecular weight of 1378.90 g/mol. Its IUPAC name is 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene
PubChem CID158966144
Molecular FormulaC103H95NO2
Molecular Weight1378.90 g/mol
Exact Mass1377.74
IUPAC Name2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene
SMILESCc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2ccccc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1
InChIInChI=1S/C16H16.2C13H10O.2C13H12.2C11H10.C7H8.C6H7N/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6/h4-10H,1-3H3;2*2-8H,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3;2-5H,1H3
InChIKeyJNFNYXGIQVIDTC-UHFFFAOYSA-N
XLogP29.10
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001378.90
LogP ≤ 529.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-2-(4-methylphenyl)fluorene;2-(4-methylphenyl)dibenzofuran;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;9-(4-methylphenyl)phenanthrene;2-methylpyridine
CID 157304486
3-methylfluoranthene;1-methylnaphthalene;1-methyl-4-phenylbenzene;1-methylpyrene;naphthalene;toluene;2,9,9-trimethylfluorene
CID 167628771
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-phenylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2-naphthalen-1-yl-9,10-dinaphthalen-2-ylanthracene;2-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 160716890
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171582676
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 161035826
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene;1,3,5-trimethylbenzene
CID 159402641
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 159000045
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-amine
CID 157215739
2-dibenzofuran-3-yl-4-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 157318035
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 159257913

Frequently Asked Questions

What is the IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene?
The IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene (CID 158966144) is 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene.
What is the SMILES notation for 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene?
The canonical SMILES for 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene is Cc1ccc(-c2ccccc2)cc1.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2ccccc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.
What is the InChIKey of 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene?
The InChIKey is JNFNYXGIQVIDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.2C13H10O.2C13H12.2C11H10.C7H8.C6H7N/c1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6/h4-10H,1-3H3;2*2-8H,1H3;2*2-10H,1H3;2*2-8H,1H3;2-6H,1H3;2-5H,1H3.
What are the key properties of 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene?
2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene has a molecular weight of 1378.90 g/mol, XLogP of 29.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;3-methyldibenzofuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methylpyridine;toluene;2,9,9-trimethylfluorene is sourced from PubChem (CID 158966144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).