1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran

C48H30O — CID 176751774

IUPAC1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1
InChIInChI=1S/C48H30O/c1-2-13-32(14-3-1)37-23-11-25-43-47-42(24-12-26-44(47)49-48(37)43)46-40-20-8-6-18-38(40)45(39-19-7-9-21-41(39)46)34-29-27-33(28-30-34)36-22-10-16-31-15-4-5-17-35(31)36/h1-30H
InChIKeyOZSMBJTUYXIFBD-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran

1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran (PubChem CID 176751774) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran.

Molecular Properties

Compound Name1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
PubChem CID176751774
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1
InChIInChI=1S/C48H30O/c1-2-13-32(14-3-1)37-23-11-25-43-47-42(24-12-26-44(47)49-48(37)43)46-40-20-8-6-18-38(40)45(39-19-7-9-21-41(39)46)34-29-27-33(28-30-34)36-22-10-16-31-15-4-5-17-35(31)36/h1-30H
InChIKeyOZSMBJTUYXIFBD-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 162712152
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 166945536
1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 135216097
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The IUPAC name of 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran (CID 176751774) is 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran.
What is the SMILES notation for 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The canonical SMILES for 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran is c1ccc(-c2cccc3c2oc2cccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)c23)cc1.
What is the InChIKey of 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
The InChIKey is OZSMBJTUYXIFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-32(14-3-1)37-23-11-25-43-47-42(24-12-26-44(47)49-48(37)43)46-40-20-8-6-18-38(40)45(39-19-7-9-21-41(39)46)34-29-27-33(28-30-34)36-22-10-16-31-15-4-5-17-35(31)36/h1-30H.
What are the key properties of 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran?
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran is sourced from PubChem (CID 176751774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).