8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran

C48H32O — CID 164841482

IUPAC8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)cc5)c5ccccc45)cc3C2C=C1
InChIInChI=1S/C48H32O/c1-2-12-31(13-3-1)36-28-34-14-4-5-15-37(34)43(30-36)32-22-24-33(25-23-32)47-39-17-6-8-19-41(39)48(42-20-9-7-18-40(42)47)35-26-27-46-44(29-35)38-16-10-11-21-45(38)49-46/h1-30,38,45H
InChIKeyGJOMTSROSSUUDQ-UHFFFAOYSA-N
MW624.78 g/mol
LogP12.78
Rot. Bonds4

About 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran

8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran (PubChem CID 164841482) has the molecular formula C48H32O and a molecular weight of 624.78 g/mol. Its IUPAC name is 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
PubChem CID164841482
Molecular FormulaC48H32O
Molecular Weight624.78 g/mol
Exact Mass624.25
IUPAC Name8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)cc5)c5ccccc45)cc3C2C=C1
InChIInChI=1S/C48H32O/c1-2-12-31(13-3-1)36-28-34-14-4-5-15-37(34)43(30-36)32-22-24-33(25-23-32)47-39-17-6-8-19-41(39)48(42-20-9-7-18-40(42)47)35-26-27-46-44(29-35)38-16-10-11-21-45(38)49-46/h1-30,38,45H
InChIKeyGJOMTSROSSUUDQ-UHFFFAOYSA-N
XLogP12.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.78
LogP ≤ 512.78
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

8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
2-phenanthren-9-yl-4-phenyl-6-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170301807
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
N-[4-[3-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133887
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
8-pyren-1-yl-4a,9b-dihydrodibenzofuran
CID 58556367
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 88905849
9-[8-(3,5-diphenylphenyl)-6-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837395
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907

Frequently Asked Questions

What is the IUPAC name of 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The IUPAC name of 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran (CID 164841482) is 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The canonical SMILES for 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran is C1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)cc5)c5ccccc45)cc3C2C=C1.
What is the InChIKey of 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The InChIKey is GJOMTSROSSUUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O/c1-2-12-31(13-3-1)36-28-34-14-4-5-15-37(34)43(30-36)32-22-24-33(25-23-32)47-39-17-6-8-19-41(39)48(42-20-9-7-18-40(42)47)35-26-27-46-44(29-35)38-16-10-11-21-45(38)49-46/h1-30,38,45H.
What are the key properties of 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran has a molecular weight of 624.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 164841482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).