3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one

C40H26O3 — CID 71260985

IUPAC3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2C(=O)c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C40H26O3/c1-40(2)33-21-23(25-11-7-13-29-27-9-3-5-15-35(27)42-38(25)29)17-19-31(33)37(41)32-20-18-24(22-34(32)40)26-12-8-14-30-28-10-4-6-16-36(28)43-39(26)30/h3-22H,1-2H3
InChIKeyPKZDJHNIRLLVEK-UHFFFAOYSA-N
MW554.65 g/mol
LogP10.69
Rot. Bonds2

About 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one

3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one (PubChem CID 71260985) has the molecular formula C40H26O3 and a molecular weight of 554.65 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
PubChem CID71260985
Molecular FormulaC40H26O3
Molecular Weight554.65 g/mol
Exact Mass554.19
IUPAC Name3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2C(=O)c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C40H26O3/c1-40(2)33-21-23(25-11-7-13-29-27-9-3-5-15-35(27)42-38(25)29)17-19-31(33)37(41)32-20-18-24(22-34(32)40)26-12-8-14-30-28-10-4-6-16-36(28)43-39(26)30/h3-22H,1-2H3
InChIKeyPKZDJHNIRLLVEK-UHFFFAOYSA-N
XLogP10.69
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 163474399
4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)dibenzofuran
CID 87688488
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161143878
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
4-[3-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]dibenzofuran
CID 121444171
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367
10-(3-dibenzofuran-4-ylphenyl)-7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 118553057

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one?
The IUPAC name of 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one (CID 71260985) is 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one?
The canonical SMILES for 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one is CC1(C)c2cc(-c3cccc4c3oc3ccccc34)ccc2C(=O)c2ccc(-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one?
The InChIKey is PKZDJHNIRLLVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O3/c1-40(2)33-21-23(25-11-7-13-29-27-9-3-5-15-35(27)42-38(25)29)17-19-31(33)37(41)32-20-18-24(22-34(32)40)26-12-8-14-30-28-10-4-6-16-36(28)43-39(26)30/h3-22H,1-2H3.
What are the key properties of 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one?
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one has a molecular weight of 554.65 g/mol, XLogP of 10.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 71260985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).