6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran

C48H28O2 — CID 122425709

IUPAC6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5c6ccccc6cc6c5oc5ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)45-37-17-6-8-19-39(37)46(40-20-9-7-18-38(40)45)31-22-24-35-36-25-23-32(28-44(36)49-43(35)27-31)47-33-15-5-4-14-30(33)26-41-34-16-10-11-21-42(34)50-48(41)47/h1-28H
InChIKeyAVMYANACYBELTB-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran

6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran (PubChem CID 122425709) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
PubChem CID122425709
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5c6ccccc6cc6c5oc5ccccc56)ccc34)c3ccccc23)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)45-37-17-6-8-19-39(37)46(40-20-9-7-18-38(40)45)31-22-24-35-36-25-23-32(28-44(36)49-43(35)27-31)47-33-15-5-4-14-30(33)26-41-34-16-10-11-21-42(34)50-48(41)47/h1-28H
InChIKeyAVMYANACYBELTB-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

3-(10-naphthalen-2-ylanthracen-9-yl)-6-phenylnaphtho[2,3-b][1]benzofuran
CID 134487576
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957
6-[8-naphtho[2,3-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,3-b][1]benzofuran
CID 155334904
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185583
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798
2-(10-dibenzofuran-3-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176746338
7-(10-deuterioanthracen-9-yl)-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 158079549

Frequently Asked Questions

What is the IUPAC name of 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?
The IUPAC name of 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran (CID 122425709) is 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?
The canonical SMILES for 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)oc3cc(-c5c6ccccc6cc6c5oc5ccccc56)ccc34)c3ccccc23)cc1.
What is the InChIKey of 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?
The InChIKey is AVMYANACYBELTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-12-29(13-3-1)45-37-17-6-8-19-39(37)46(40-20-9-7-18-38(40)45)31-22-24-35-36-25-23-32(28-44(36)49-43(35)27-31)47-33-15-5-4-14-30(33)26-41-34-16-10-11-21-42(34)50-48(41)47/h1-28H.
What are the key properties of 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran?
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-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 6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 122425709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).