7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran

C45H32O — CID 121287192

IUPAC7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
SMILESCCc1ccc2c3ccc(-c4cc(C)cc(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c4)cc3c3ccccc3c2c1
InChIInChI=1S/C45H32O/c1-3-29-13-17-38-39-18-14-32(25-42(39)37-12-8-7-11-36(37)41(38)23-29)34-21-28(2)22-35(24-34)33-15-19-40-43-26-31(30-9-5-4-6-10-30)16-20-44(43)46-45(40)27-33/h4-27H,3H2,1-2H3
InChIKeyRSSQYGCVJUCJBL-UHFFFAOYSA-N
MW588.75 g/mol
LogP12.92
Rot. Bonds4

About 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran

7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran (PubChem CID 121287192) has the molecular formula C45H32O and a molecular weight of 588.75 g/mol. Its IUPAC name is 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran.

Molecular Properties

Compound Name7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
PubChem CID121287192
Molecular FormulaC45H32O
Molecular Weight588.75 g/mol
Exact Mass588.25
IUPAC Name7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran
SMILESCCc1ccc2c3ccc(-c4cc(C)cc(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c4)cc3c3ccccc3c2c1
InChIInChI=1S/C45H32O/c1-3-29-13-17-38-39-18-14-32(25-42(39)37-12-8-7-11-36(37)41(38)23-29)34-21-28(2)22-35(24-34)33-15-19-40-43-26-31(30-9-5-4-6-10-30)16-20-44(43)46-45(40)27-33/h4-27H,3H2,1-2H3
InChIKeyRSSQYGCVJUCJBL-UHFFFAOYSA-N
XLogP12.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 512.92
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-[3-(4-phenylphenyl)phenyl]-8-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118349959
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
6-[3-(3-triphenylen-2-ylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163594432
3-(3-triphenylen-2-ylphenyl)dibenzofuran
CID 118231138
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-[4-[7-(4-ethylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170293807
3-ethyldibenzofuran
CID 58510747
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
2-[7-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364883

Frequently Asked Questions

What is the IUPAC name of 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran?
The IUPAC name of 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran (CID 121287192) is 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran.
What is the SMILES notation for 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran?
The canonical SMILES for 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran is CCc1ccc2c3ccc(-c4cc(C)cc(-c5ccc6c(c5)oc5ccc(-c7ccccc7)cc56)c4)cc3c3ccccc3c2c1.
What is the InChIKey of 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran?
The InChIKey is RSSQYGCVJUCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32O/c1-3-29-13-17-38-39-18-14-32(25-42(39)37-12-8-7-11-36(37)41(38)23-29)34-21-28(2)22-35(24-34)33-15-19-40-43-26-31(30-9-5-4-6-10-30)16-20-44(43)46-45(40)27-33/h4-27H,3H2,1-2H3.
What are the key properties of 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran?
7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran has a molecular weight of 588.75 g/mol, XLogP of 12.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(7-ethyltriphenylen-2-yl)-5-methylphenyl]-2-phenyldibenzofuran is sourced from PubChem (CID 121287192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).