3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran

C34H24O — CID 58991814

IUPAC3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C34H24O/c1-21-17-22(2)19-24(18-21)34-29-12-5-3-10-27(29)33(28-11-4-6-13-30(28)34)23-15-16-26-25-9-7-8-14-31(25)35-32(26)20-23/h3-20H,1-2H3
InChIKeyCSSNHXNXLZMNLV-UHFFFAOYSA-N
MW448.57 g/mol
LogP9.84
Rot. Bonds2

About 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran

3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 58991814) has the molecular formula C34H24O and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID58991814
Molecular FormulaC34H24O
Molecular Weight448.57 g/mol
Exact Mass448.18
IUPAC Name3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C34H24O/c1-21-17-22(2)19-24(18-21)34-29-12-5-3-10-27(29)33(28-11-4-6-13-30(28)34)23-15-16-26-25-9-7-8-14-31(25)35-32(26)20-23/h3-20H,1-2H3
InChIKeyCSSNHXNXLZMNLV-UHFFFAOYSA-N
XLogP9.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 59.84
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

2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
3-(3-methylphenyl)dibenzofuran
CID 70924364
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-(10-tetraphenylen-2-ylanthracen-9-yl)dibenzofuran
CID 138553319
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
5-[10-(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-nonaen-6-yl)anthracen-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;6-[10-(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-nonaen-6-yl)anthracen-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 159714513
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477

Frequently Asked Questions

What is the IUPAC name of 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran (CID 58991814) is 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran is Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)c1.
What is the InChIKey of 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is CSSNHXNXLZMNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24O/c1-21-17-22(2)19-24(18-21)34-29-12-5-3-10-27(29)33(28-11-4-6-13-30(28)34)23-15-16-26-25-9-7-8-14-31(25)35-32(26)20-23/h3-20H,1-2H3.
What are the key properties of 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran?
3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 448.57 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(3,5-dimethylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 58991814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).