2-(7-methylphenanthren-2-yl)dibenzofuran

C27H18O — CID 118887116

IUPAC2-(7-methylphenanthren-2-yl)dibenzofuran
SMILESCc1ccc2c(ccc3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C27H18O/c1-17-6-11-22-20(14-17)7-8-21-15-18(9-12-23(21)22)19-10-13-27-25(16-19)24-4-2-3-5-26(24)28-27/h2-16H,1H3
InChIKeyACUXJGKEYNRZOX-UHFFFAOYSA-N
MW358.44 g/mol
LogP7.87
Rot. Bonds1

About 2-(7-methylphenanthren-2-yl)dibenzofuran

2-(7-methylphenanthren-2-yl)dibenzofuran (PubChem CID 118887116) has the molecular formula C27H18O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(7-methylphenanthren-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(7-methylphenanthren-2-yl)dibenzofuran
PubChem CID118887116
Molecular FormulaC27H18O
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name2-(7-methylphenanthren-2-yl)dibenzofuran
SMILESCc1ccc2c(ccc3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C27H18O/c1-17-6-11-22-20(14-17)7-8-21-15-18(9-12-23(21)22)19-10-13-27-25(16-19)24-4-2-3-5-26(24)28-27/h2-16H,1H3
InChIKeyACUXJGKEYNRZOX-UHFFFAOYSA-N
XLogP7.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(6-phenanthren-9-ylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran
CID 58569083
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-methyl-8-(7-methyldibenzofuran-2-yl)dibenzofuran
CID 59359477
6-(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 139469551
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
CID 58194354
2-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-[4-[6-(4-fluorophenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 169293505
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
3-(3-methylphenyl)dibenzofuran
CID 70924364
2-[3-(3-methyl-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 167060905

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylphenanthren-2-yl)dibenzofuran?
The IUPAC name of 2-(7-methylphenanthren-2-yl)dibenzofuran (CID 118887116) is 2-(7-methylphenanthren-2-yl)dibenzofuran.
What is the SMILES notation for 2-(7-methylphenanthren-2-yl)dibenzofuran?
The canonical SMILES for 2-(7-methylphenanthren-2-yl)dibenzofuran is Cc1ccc2c(ccc3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 2-(7-methylphenanthren-2-yl)dibenzofuran?
The InChIKey is ACUXJGKEYNRZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O/c1-17-6-11-22-20(14-17)7-8-21-15-18(9-12-23(21)22)19-10-13-27-25(16-19)24-4-2-3-5-26(24)28-27/h2-16H,1H3.
What are the key properties of 2-(7-methylphenanthren-2-yl)dibenzofuran?
2-(7-methylphenanthren-2-yl)dibenzofuran has a molecular weight of 358.44 g/mol, XLogP of 7.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylphenanthren-2-yl)dibenzofuran is sourced from PubChem (CID 118887116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).