7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

C48H28O2 — CID 170249935

IUPAC7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cccc7oc8c9ccccc9ccc8c67)ccc5c34)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-13-30(14-3-1)44-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)44)39-21-11-22-41-47(39)38-26-25-31(28-43(38)49-41)32-20-10-23-42-46(32)40-27-24-29-12-4-5-15-33(29)48(40)50-42/h1-28H
InChIKeyVRBGJKNSAKSUAG-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran

7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 170249935) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
PubChem CID170249935
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cccc7oc8c9ccccc9ccc8c67)ccc5c34)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-13-30(14-3-1)44-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)44)39-21-11-22-41-47(39)38-26-25-31(28-43(38)49-41)32-20-10-23-42-46(32)40-27-24-29-12-4-5-15-33(29)48(40)50-42/h1-28H
InChIKeyVRBGJKNSAKSUAG-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
1-phenanthren-2-yl-9-(10-phenylanthracen-9-yl)dibenzofuran;7-phenanthren-9-yl-1-(10-phenylanthracen-9-yl)dibenzofuran;8-phenanthren-2-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 158243132
3-[3-[7-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 167091815
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;7-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159482867
7-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653986

Frequently Asked Questions

What is the IUPAC name of 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran (CID 170249935) is 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4oc5cc(-c6cccc7oc8c9ccccc9ccc8c67)ccc5c34)c3ccccc23)cc1.
What is the InChIKey of 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is VRBGJKNSAKSUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-13-30(14-3-1)44-34-16-6-8-18-36(34)45(37-19-9-7-17-35(37)44)39-21-11-22-41-47(39)38-26-25-31(28-43(38)49-41)32-20-10-23-42-46(32)40-27-24-29-12-4-5-15-33(29)48(40)50-42/h1-28H.
What are the key properties of 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran?
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170249935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).