8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

C48H30O — CID 174167530

IUPAC8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)c7ccccc67)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)33-26-29-44-43(30-33)48-42(24-13-25-45(48)49-44)47-39-22-11-9-20-37(39)46(38-21-10-12-23-40(38)47)41-28-27-34(32-16-5-2-6-17-32)35-18-7-8-19-36(35)41/h1-30H
InChIKeyRNJLVTYZQMWKDV-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 174167530) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
PubChem CID174167530
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)c7ccccc67)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)33-26-29-44-43(30-33)48-42(24-13-25-45(48)49-44)47-39-22-11-9-20-37(39)46(38-21-10-12-23-40(38)47)41-28-27-34(32-16-5-2-6-17-32)35-18-7-8-19-36(35)41/h1-30H
InChIKeyRNJLVTYZQMWKDV-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-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)-3-phenylphenyl]anthracen-9-yl]-8-phenyldibenzofuran
CID 170663291
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 135233850
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498
4-[4-[10-(4-dibenzofuran-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 154970869
8-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2-(2,3,5,6-tetradeuterio-4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170663727
1-[8-dibenzofuran-1-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran
CID 159957368
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (CID 174167530) is 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6ccc(-c7ccccc7)c7ccccc67)c6ccccc56)c4c3c2)cc1.
What is the InChIKey of 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is RNJLVTYZQMWKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-3-14-31(15-4-1)33-26-29-44-43(30-33)48-42(24-13-25-45(48)49-44)47-39-22-11-9-20-37(39)46(38-21-10-12-23-40(38)47)41-28-27-34(32-16-5-2-6-17-32)35-18-7-8-19-36(35)41/h1-30H.
What are the key properties of 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran 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 8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 174167530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).