9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran

C48H32O — CID 165170050

IUPAC9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3c(-c4ccccc4-c4ccccc4)ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3C2C=C1
InChIInChI=1S/C48H32O/c1-2-15-31(16-3-1)33-19-6-7-21-35(33)41-29-30-43(47-42-26-12-13-28-44(42)49-48(41)47)46-39-24-10-8-22-37(39)45(38-23-9-11-25-40(38)46)36-27-14-18-32-17-4-5-20-34(32)36/h1-30,42,44H
InChIKeyYYNGBMXWARNGGF-UHFFFAOYSA-N
MW624.78 g/mol
LogP12.78
Rot. Bonds4

About 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran

9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran (PubChem CID 165170050) has the molecular formula C48H32O and a molecular weight of 624.78 g/mol. Its IUPAC name is 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
PubChem CID165170050
Molecular FormulaC48H32O
Molecular Weight624.78 g/mol
Exact Mass624.25
IUPAC Name9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3c(-c4ccccc4-c4ccccc4)ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3C2C=C1
InChIInChI=1S/C48H32O/c1-2-15-31(16-3-1)33-19-6-7-21-35(33)41-29-30-43(47-42-26-12-13-28-44(42)49-48(41)47)46-39-24-10-8-22-37(39)45(38-23-9-11-25-40(38)46)36-27-14-18-32-17-4-5-20-34(32)36/h1-30,42,44H
InChIKeyYYNGBMXWARNGGF-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

6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
CID 155426393
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-naphthalen-1-yl-24-(2-phenylphenyl)heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene
CID 59642443
10-naphthalen-1-yl-1-(3-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)anthracene
CID 58323303
9-(5-naphthalen-1-yl-2-phenylphenyl)-10-phenylanthracene
CID 141366540
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
1-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran
CID 165169897
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389

Frequently Asked Questions

What is the IUPAC name of 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran?
The IUPAC name of 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran (CID 165170050) is 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran?
The canonical SMILES for 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran is C1=CC2Oc3c(-c4ccccc4-c4ccccc4)ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3C2C=C1.
What is the InChIKey of 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran?
The InChIKey is YYNGBMXWARNGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O/c1-2-15-31(16-3-1)33-19-6-7-21-35(33)41-29-30-43(47-42-26-12-13-28-44(42)49-48(41)47)46-39-24-10-8-22-37(39)45(38-23-9-11-25-40(38)46)36-27-14-18-32-17-4-5-20-34(32)36/h1-30,42,44H.
What are the key properties of 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran?
9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-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 9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 165170050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).