9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran

C38H26O — CID 175630373

IUPAC9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3cccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)c3c2CC1
InChIInChI=1S/C38H26O/c1-3-12-25(13-4-1)27-22-23-30-33(24-27)36(26-14-5-2-6-15-26)28-16-7-8-17-29(28)37(30)32-19-11-21-35-38(32)31-18-9-10-20-34(31)39-35/h1-8,10-17,19-24H,9,18H2
InChIKeyLPNZTZOJCVZODL-UHFFFAOYSA-N
MW498.63 g/mol
LogP10.70
Rot. Bonds3

About 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran

9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran (PubChem CID 175630373) has the molecular formula C38H26O and a molecular weight of 498.63 g/mol. Its IUPAC name is 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran.

Molecular Properties

Compound Name9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
PubChem CID175630373
Molecular FormulaC38H26O
Molecular Weight498.63 g/mol
Exact Mass498.20
IUPAC Name9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
SMILESC1=Cc2oc3cccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)c3c2CC1
InChIInChI=1S/C38H26O/c1-3-12-25(13-4-1)27-22-23-30-33(24-27)36(26-14-5-2-6-15-26)28-16-7-8-17-29(28)37(30)32-19-11-21-35-38(32)31-18-9-10-20-34(31)39-35/h1-8,10-17,19-24H,9,18H2
InChIKeyLPNZTZOJCVZODL-UHFFFAOYSA-N
XLogP10.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 510.70
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-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
11-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),6,10,12,14,16,18-octaene
CID 88995013
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476

Frequently Asked Questions

What is the IUPAC name of 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The IUPAC name of 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran (CID 175630373) is 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran.
What is the SMILES notation for 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The canonical SMILES for 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran is C1=Cc2oc3cccc(-c4c5ccccc5c(-c5ccccc5)c5cc(-c6ccccc6)ccc45)c3c2CC1.
What is the InChIKey of 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
The InChIKey is LPNZTZOJCVZODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O/c1-3-12-25(13-4-1)27-22-23-30-33(24-27)36(26-14-5-2-6-15-26)28-16-7-8-17-29(28)37(30)32-19-11-21-35-38(32)31-18-9-10-20-34(31)39-35/h1-8,10-17,19-24H,9,18H2.
What are the key properties of 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran?
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran has a molecular weight of 498.63 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran is sourced from PubChem (CID 175630373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).