6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran

C57H36O — CID 167395094

IUPAC6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1
InChIInChI=1S/C57H36O/c1-4-20-39-36(16-1)19-13-29-43(39)49-30-14-32-51-56-50(31-15-33-54(56)58-57(49)51)55-47-27-11-9-25-45(47)53(46-26-10-12-28-48(46)55)35-38-18-3-6-22-41(38)52-34-37-17-2-5-21-40(37)42-23-7-8-24-44(42)52/h1-34H,35H2
InChIKeyVOTZHFXQRWUVQC-UHFFFAOYSA-N
MW736.91 g/mol
LogP15.94
Rot. Bonds5

About 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran

6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (PubChem CID 167395094) has the molecular formula C57H36O and a molecular weight of 736.91 g/mol. Its IUPAC name is 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
PubChem CID167395094
Molecular FormulaC57H36O
Molecular Weight736.91 g/mol
Exact Mass736.28
IUPAC Name6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cc3ccccc3c3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1
InChIInChI=1S/C57H36O/c1-4-20-39-36(16-1)19-13-29-43(39)49-30-14-32-51-56-50(31-15-33-54(56)58-57(49)51)55-47-27-11-9-25-45(47)53(46-26-10-12-28-48(46)55)35-38-18-3-6-22-41(38)52-34-37-17-2-5-21-40(37)42-23-7-8-24-44(42)52/h1-34H,35H2
InChIKeyVOTZHFXQRWUVQC-UHFFFAOYSA-N
XLogP15.94
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.91
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167394382
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167393021
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
3-naphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;6-phenyl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 165082925
8-[3-(10-naphtho[2,1-b][1]benzofuran-3-ylanthracen-9-yl)phenanthren-9-yl]-3-(10-phenanthren-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135255864
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
9-naphthalen-1-ylphenanthrene
CID 20606742
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (CID 167395094) is 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2cc3ccccc3c3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1.
What is the InChIKey of 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The InChIKey is VOTZHFXQRWUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36O/c1-4-20-39-36(16-1)19-13-29-43(39)49-30-14-32-51-56-50(31-15-33-54(56)58-57(49)51)55-47-27-11-9-25-45(47)53(46-26-10-12-28-48(46)55)35-38-18-3-6-22-41(38)52-34-37-17-2-5-21-40(37)42-23-7-8-24-44(42)52/h1-34H,35H2.
What are the key properties of 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran has a molecular weight of 736.91 g/mol, XLogP of 15.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).