3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran

C48H30O2 — CID 130241165

IUPAC3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran
SMILESC1=CC2C=Cc3c(c(-c4cccc5c4oc4ccccc45)c4ccccc4c3-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)C2C=C1
InChIInChI=1S/C48H30O2/c1-2-14-33-29(11-1)23-26-40-45(32-13-9-12-30(27-32)31-24-25-36-34-15-5-7-21-42(34)49-44(36)28-31)37-17-3-4-18-38(37)47(46(33)40)41-20-10-19-39-35-16-6-8-22-43(35)50-48(39)41/h1-29,33H
InChIKeyRGLZRWIVUHXYOR-UHFFFAOYSA-N
MW638.77 g/mol
LogP13.49
Rot. Bonds3

About 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran

3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran (PubChem CID 130241165) has the molecular formula C48H30O2 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran
PubChem CID130241165
Molecular FormulaC48H30O2
Molecular Weight638.77 g/mol
Exact Mass638.22
IUPAC Name3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran
SMILESC1=CC2C=Cc3c(c(-c4cccc5c4oc4ccccc45)c4ccccc4c3-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)C2C=C1
InChIInChI=1S/C48H30O2/c1-2-14-33-29(11-1)23-26-40-45(32-13-9-12-30(27-32)31-24-25-36-34-15-5-7-21-42(34)49-44(36)28-31)37-17-3-4-18-38(37)47(46(33)40)41-20-10-19-39-35-16-6-8-22-43(35)50-48(39)41/h1-29,33H
InChIKeyRGLZRWIVUHXYOR-UHFFFAOYSA-N
XLogP13.49
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
9-(9,10-diphenylanthracen-2-yl)-4a,11c-dihydronaphtho[2,1-b][1]benzofuran
CID 88995155
2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170127920
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
7-(10-dibenzofuran-3-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314427
8-(10-dibenzofuran-3-ylanthracen-9-yl)-2,3-diphenyl-[1]benzofuro[6,5-b][1]benzofuran
CID 176745348
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
3-(1,2,3,4,5,6,7,8-octadeuterio-10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 153436590
7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444

Frequently Asked Questions

What is the IUPAC name of 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran?
The IUPAC name of 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran (CID 130241165) is 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran.
What is the SMILES notation for 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran?
The canonical SMILES for 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran is C1=CC2C=Cc3c(c(-c4cccc5c4oc4ccccc45)c4ccccc4c3-c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)C2C=C1.
What is the InChIKey of 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran?
The InChIKey is RGLZRWIVUHXYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O2/c1-2-14-33-29(11-1)23-26-40-45(32-13-9-12-30(27-32)31-24-25-36-34-15-5-7-21-42(34)49-44(36)28-31)37-17-3-4-18-38(37)47(46(33)40)41-20-10-19-39-35-16-6-8-22-43(35)50-48(39)41/h1-29,33H.
What are the key properties of 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran?
3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran has a molecular weight of 638.77 g/mol, XLogP of 13.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(12-dibenzofuran-4-yl-4a,12b-dihydrobenzo[a]anthracen-7-yl)phenyl]dibenzofuran is sourced from PubChem (CID 130241165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).