1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol

C50H30O2 — CID 171447261

IUPAC1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
SMILESOc1ccc2c3ccccc3c3ccccc3c2c1-c1c2ccccc2c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c2ccccc12
InChIInChI=1S/C50H30O2/c51-43-28-27-40-34-17-5-4-15-32(34)33-16-6-7-18-35(33)48(40)50(43)49-38-21-10-8-19-36(38)46(37-20-9-11-22-39(37)49)42-23-12-24-44-47(42)41-26-25-31(29-45(41)52-44)30-13-2-1-3-14-30/h1-29,51H
InChIKeyLCLBNWJQURPDKP-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.06
Rot. Bonds3

About 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol

1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol (PubChem CID 171447261) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol.

Molecular Properties

Compound Name1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
PubChem CID171447261
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
SMILESOc1ccc2c3ccccc3c3ccccc3c2c1-c1c2ccccc2c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c2ccccc12
InChIInChI=1S/C50H30O2/c51-43-28-27-40-34-17-5-4-15-32(34)33-16-6-7-18-35(33)48(40)50(43)49-38-21-10-8-19-36(38)46(37-20-9-11-22-39(37)49)42-23-12-24-44-47(42)41-26-25-31(29-45(41)52-44)30-13-2-1-3-14-30/h1-29,51H
InChIKeyLCLBNWJQURPDKP-UHFFFAOYSA-N
XLogP14.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran
CID 171447388
1-[4-(10-bromoanthracen-9-yl)naphthalen-1-yl]-7-phenyldibenzofuran
CID 176639419
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
7-phenyl-1-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170664139
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170664333
1-[10-[3,4-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-7-phenyldibenzofuran
CID 170662053
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170662347

Frequently Asked Questions

What is the IUPAC name of 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol?
The IUPAC name of 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol (CID 171447261) is 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol.
What is the SMILES notation for 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol?
The canonical SMILES for 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol is Oc1ccc2c3ccccc3c3ccccc3c2c1-c1c2ccccc2c(-c2cccc3oc4cc(-c5ccccc5)ccc4c23)c2ccccc12.
What is the InChIKey of 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol?
The InChIKey is LCLBNWJQURPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c51-43-28-27-40-34-17-5-4-15-32(34)33-16-6-7-18-35(33)48(40)50(43)49-38-21-10-8-19-36(38)46(37-20-9-11-22-39(37)49)42-23-12-24-44-47(42)41-26-25-31(29-45(41)52-44)30-13-2-1-3-14-30/h1-29,51H.
What are the key properties of 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol?
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol has a molecular weight of 662.79 g/mol, XLogP of 14.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol is sourced from PubChem (CID 171447261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).