4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran

C45H30O — CID 58262030

IUPAC4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
SMILESCc1ccc2c(-c3ccccc3)c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C45H30O/c1-29-22-24-37-40(26-29)43(30-12-4-2-5-13-30)38-25-23-33(28-41(38)44(37)31-14-6-3-7-15-31)32-16-10-17-34(27-32)35-19-11-20-39-36-18-8-9-21-42(36)46-45(35)39/h2-28H,1H3
InChIKeyYKHHACRWTDIPKI-UHFFFAOYSA-N
MW586.73 g/mol
LogP12.87
Rot. Bonds4

About 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran

4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran (PubChem CID 58262030) has the molecular formula C45H30O and a molecular weight of 586.73 g/mol. Its IUPAC name is 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
PubChem CID58262030
Molecular FormulaC45H30O
Molecular Weight586.73 g/mol
Exact Mass586.23
IUPAC Name4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
SMILESCc1ccc2c(-c3ccccc3)c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C45H30O/c1-29-22-24-37-40(26-29)43(30-12-4-2-5-13-30)38-25-23-33(28-41(38)44(37)31-14-6-3-7-15-31)32-16-10-17-34(27-32)35-19-11-20-39-36-18-8-9-21-42(36)46-45(35)39/h2-28H,1H3
InChIKeyYKHHACRWTDIPKI-UHFFFAOYSA-N
XLogP12.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.73
LogP ≤ 512.87
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

4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran?
The IUPAC name of 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran (CID 58262030) is 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran.
What is the SMILES notation for 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran?
The canonical SMILES for 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran is Cc1ccc2c(-c3ccccc3)c3cc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran?
The InChIKey is YKHHACRWTDIPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30O/c1-29-22-24-37-40(26-29)43(30-12-4-2-5-13-30)38-25-23-33(28-41(38)44(37)31-14-6-3-7-15-31)32-16-10-17-34(27-32)35-19-11-20-39-36-18-8-9-21-42(36)46-45(35)39/h2-28H,1H3.
What are the key properties of 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran?
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran has a molecular weight of 586.73 g/mol, XLogP of 12.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran is sourced from PubChem (CID 58262030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).