ethane;2-(3-methylphenyl)-8-phenyldibenzofuran

C27H24O — CID 143904784

IUPACethane;2-(3-methylphenyl)-8-phenyldibenzofuran
SMILESCC.Cc1cccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C25H18O.C2H6/c1-17-6-5-9-19(14-17)21-11-13-25-23(16-21)22-15-20(10-12-24(22)26-25)18-7-3-2-4-8-18;1-2/h2-16H,1H3;1-2H3
InChIKeyBQVQNTSAJMORDE-UHFFFAOYSA-N
MW364.49 g/mol
LogP8.25
Rot. Bonds2

About ethane;2-(3-methylphenyl)-8-phenyldibenzofuran

ethane;2-(3-methylphenyl)-8-phenyldibenzofuran (PubChem CID 143904784) has the molecular formula C27H24O and a molecular weight of 364.49 g/mol. Its IUPAC name is ethane;2-(3-methylphenyl)-8-phenyldibenzofuran.

Molecular Properties

Compound Nameethane;2-(3-methylphenyl)-8-phenyldibenzofuran
PubChem CID143904784
Molecular FormulaC27H24O
Molecular Weight364.49 g/mol
Exact Mass364.18
IUPAC Nameethane;2-(3-methylphenyl)-8-phenyldibenzofuran
SMILESCC.Cc1cccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c1
InChIInChI=1S/C25H18O.C2H6/c1-17-6-5-9-19(14-17)21-11-13-25-23(16-21)22-15-20(10-12-24(22)26-25)18-7-3-2-4-8-18;1-2/h2-16H,1H3;1-2H3
InChIKeyBQVQNTSAJMORDE-UHFFFAOYSA-N
XLogP8.25
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
2,8-dimethyldibenzofuran;3,6-dimethyl-9-phenylcarbazole;2-methyl-8-(8-methyldibenzofuran-2-yl)dibenzofuran;3-methyl-6-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;2-methyl-8-[3-(8-methyldibenzofuran-2-yl)phenyl]dibenzofuran;3-methyl-6-[8-(6-methyl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole;2-methyl-8-(3-methylphenyl)dibenzofuran
CID 160962329
2-methyl-7-phenylxanthen-9-one
CID 123326805
3-(3-methylphenyl)dibenzofuran
CID 70924364
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
2-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
9,27-diphenyl-13,17,21,31-tetraoxanonacyclo[18.14.0.03,18.04,16.06,14.07,12.022,34.024,32.025,30]tetratriaconta-1(20),2,4(16),5,7(12),8,10,14,18,22,24(32),25(30),26,28,33-pentadecaene
CID 58004021

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylphenyl)-8-phenyldibenzofuran?
The IUPAC name of ethane;2-(3-methylphenyl)-8-phenyldibenzofuran (CID 143904784) is ethane;2-(3-methylphenyl)-8-phenyldibenzofuran.
What is the SMILES notation for ethane;2-(3-methylphenyl)-8-phenyldibenzofuran?
The canonical SMILES for ethane;2-(3-methylphenyl)-8-phenyldibenzofuran is CC.Cc1cccc(-c2ccc3oc4ccc(-c5ccccc5)cc4c3c2)c1.
What is the InChIKey of ethane;2-(3-methylphenyl)-8-phenyldibenzofuran?
The InChIKey is BQVQNTSAJMORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O.C2H6/c1-17-6-5-9-19(14-17)21-11-13-25-23(16-21)22-15-20(10-12-24(22)26-25)18-7-3-2-4-8-18;1-2/h2-16H,1H3;1-2H3.
What are the key properties of ethane;2-(3-methylphenyl)-8-phenyldibenzofuran?
ethane;2-(3-methylphenyl)-8-phenyldibenzofuran has a molecular weight of 364.49 g/mol, XLogP of 8.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylphenyl)-8-phenyldibenzofuran is sourced from PubChem (CID 143904784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).