8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran

C42H28O — CID 164841424

IUPAC8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40/h1-26,33,39H
InChIKeyVSKVRRARXGQXNJ-UHFFFAOYSA-N
MW548.69 g/mol
LogP11.12
Rot. Bonds3

About 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran

8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran (PubChem CID 164841424) has the molecular formula C42H28O and a molecular weight of 548.69 g/mol. Its IUPAC name is 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
PubChem CID164841424
Molecular FormulaC42H28O
Molecular Weight548.69 g/mol
Exact Mass548.21
IUPAC Name8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3C2C=C1
InChIInChI=1S/C42H28O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40/h1-26,33,39H
InChIKeyVSKVRRARXGQXNJ-UHFFFAOYSA-N
XLogP11.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 511.12
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-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841482
3-[5-(5a,9a-dihydrodibenzofuran-2-yl)naphthalen-1-yl]phenanthro[9,10-b]pyrazine
CID 88905849
6-(2-ethylphenyl)-7-methyl-8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-4a,9b-dihydrodibenzofuran
CID 88995543
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
CID 88994634
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 129301089
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-(5a,9a-dihydrodibenzofuran-2-yl)-3-[9-(5a,9a-dihydrodibenzofuran-2-yl)carbazol-4-yl]carbazole
CID 163746165
9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
CID 165170050
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308

Frequently Asked Questions

What is the IUPAC name of 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The IUPAC name of 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran (CID 164841424) is 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The canonical SMILES for 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran is C1=CC2Oc3ccc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc3C2C=C1.
What is the InChIKey of 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
The InChIKey is VSKVRRARXGQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-34-14-3-5-16-36(34)42(37-17-6-4-15-35(37)41)30-24-25-40-38(26-30)33-13-7-8-19-39(33)43-40/h1-26,33,39H.
What are the key properties of 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran?
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran has a molecular weight of 548.69 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 164841424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).