6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran

C51H36O2 — CID 130421155

IUPAC6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
SMILESCc1ccccc1-c1cccc2c1oc1ccc(C(c3ccccc3)(c3ccccc3)c3ccc4oc5c(-c6ccccc6C)cccc5c4c3)cc12
InChIInChI=1S/C51H36O2/c1-33-15-9-11-21-39(33)41-23-13-25-43-45-31-37(27-29-47(45)52-49(41)43)51(35-17-5-3-6-18-35,36-19-7-4-8-20-36)38-28-30-48-46(32-38)44-26-14-24-42(50(44)53-48)40-22-12-10-16-34(40)2/h3-32H,1-2H3
InChIKeyYDMNUCMWJMISLU-UHFFFAOYSA-N
MW680.85 g/mol
LogP13.82
Rot. Bonds6

About 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran

6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran (PubChem CID 130421155) has the molecular formula C51H36O2 and a molecular weight of 680.85 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
PubChem CID130421155
Molecular FormulaC51H36O2
Molecular Weight680.85 g/mol
Exact Mass680.27
IUPAC Name6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran
SMILESCc1ccccc1-c1cccc2c1oc1ccc(C(c3ccccc3)(c3ccccc3)c3ccc4oc5c(-c6ccccc6C)cccc5c4c3)cc12
InChIInChI=1S/C51H36O2/c1-33-15-9-11-21-39(33)41-23-13-25-43-45-31-37(27-29-47(45)52-49(41)43)51(35-17-5-3-6-18-35,36-19-7-4-8-20-36)38-28-30-48-46(32-38)44-26-14-24-42(50(44)53-48)40-22-12-10-16-34(40)2/h3-32H,1-2H3
InChIKeyYDMNUCMWJMISLU-UHFFFAOYSA-N
XLogP13.82
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
4-tert-butyl-2-(8-tert-butyldibenzofuran-4-yl)pyridine
CID 167425322
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
1-(2-methylphenyl)-3,5-bis(3-tritylphenyl)benzene
CID 171724234
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
3-tert-butyl-9-[6-(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)dibenzofuran-2-yl]carbazole
CID 140937166
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
2-benzyl-6-methyldibenzofuran
CID 155004540

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?
The IUPAC name of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran (CID 130421155) is 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran.
What is the SMILES notation for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?
The canonical SMILES for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran is Cc1ccccc1-c1cccc2c1oc1ccc(C(c3ccccc3)(c3ccccc3)c3ccc4oc5c(-c6ccccc6C)cccc5c4c3)cc12.
What is the InChIKey of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?
The InChIKey is YDMNUCMWJMISLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36O2/c1-33-15-9-11-21-39(33)41-23-13-25-43-45-31-37(27-29-47(45)52-49(41)43)51(35-17-5-3-6-18-35,36-19-7-4-8-20-36)38-28-30-48-46(32-38)44-26-14-24-42(50(44)53-48)40-22-12-10-16-34(40)2/h3-32H,1-2H3.
What are the key properties of 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran?
6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran has a molecular weight of 680.85 g/mol, XLogP of 13.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-[[6-(2-methylphenyl)dibenzofuran-2-yl]-diphenylmethyl]dibenzofuran is sourced from PubChem (CID 130421155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).