1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran

C46H40O — CID 167347086

IUPAC1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3-c3ccccc3)c2c1C
InChIInChI=1S/C46H40O/c1-25-27(3)31(7)42-40(29(25)5)45(35-20-13-12-19-34(35)33-17-10-9-11-18-33)41-30(6)26(2)28(4)32(8)43(41)46(42)37-22-16-24-39-44(37)36-21-14-15-23-38(36)47-39/h9-24H,1-8H3
InChIKeyHBFROCXQQFBKSW-UHFFFAOYSA-N
MW608.83 g/mol
LogP13.36
Rot. Bonds3

About 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran

1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 167347086) has the molecular formula C46H40O and a molecular weight of 608.83 g/mol. Its IUPAC name is 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID167347086
Molecular FormulaC46H40O
Molecular Weight608.83 g/mol
Exact Mass608.31
IUPAC Name1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3-c3ccccc3)c2c1C
InChIInChI=1S/C46H40O/c1-25-27(3)31(7)42-40(29(25)5)45(35-20-13-12-19-34(35)33-17-10-9-11-18-33)41-30(6)26(2)28(4)32(8)43(41)46(42)37-22-16-24-39-44(37)36-21-14-15-23-38(36)47-39/h9-24H,1-8H3
InChIKeyHBFROCXQQFBKSW-UHFFFAOYSA-N
XLogP13.36
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.83
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,2,3,4,5,6,7,8-octamethyl-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347121
1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347291
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
2-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 167669544
1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347240
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
1,2,3,4,6,7,9-heptamethyl-8-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347084
CID 174028694
CID 174028694
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
N-(4-dibenzofuran-1-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789602

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 167347086) is 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is Cc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccccc3-c3ccccc3)c2c1C.
What is the InChIKey of 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is HBFROCXQQFBKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40O/c1-25-27(3)31(7)42-40(29(25)5)45(35-20-13-12-19-34(35)33-17-10-9-11-18-33)41-30(6)26(2)28(4)32(8)43(41)46(42)37-22-16-24-39-44(37)36-21-14-15-23-38(36)47-39/h9-24H,1-8H3.
What are the key properties of 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran?
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 608.83 g/mol, XLogP of 13.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167347086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).