1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran

C55H48O — CID 167347291

IUPAC1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c2c1C
InChIInChI=1S/C55H48O/c1-29-31(3)35(7)50-48(33(29)5)52(39-24-26-41-40-25-23-38(37-17-12-11-13-18-37)27-44(40)55(9,10)45(41)28-39)49-34(6)30(2)32(4)36(8)51(49)54(50)43-20-16-22-47-53(43)42-19-14-15-21-46(42)56-47/h11-28H,1-10H3
InChIKeyODMWWPBPGSBAEI-UHFFFAOYSA-N
MW724.99 g/mol
LogP15.67
Rot. Bonds3

About 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran

1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran (PubChem CID 167347291) has the molecular formula C55H48O and a molecular weight of 724.99 g/mol. Its IUPAC name is 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
PubChem CID167347291
Molecular FormulaC55H48O
Molecular Weight724.99 g/mol
Exact Mass724.37
IUPAC Name1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
SMILESCc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c2c1C
InChIInChI=1S/C55H48O/c1-29-31(3)35(7)50-48(33(29)5)52(39-24-26-41-40-25-23-38(37-17-12-11-13-18-37)27-44(40)55(9,10)45(41)28-39)49-34(6)30(2)32(4)36(8)51(49)54(50)43-20-16-22-47-53(43)42-19-14-15-21-46(42)56-47/h11-28H,1-10H3
InChIKeyODMWWPBPGSBAEI-UHFFFAOYSA-N
XLogP15.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 515.67
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

1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347240
1-[1,2,3,4,5,6,7,8-octamethyl-10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347121
1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 129174040
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-4-phenylaniline
CID 168839661
N-(4-dibenzofuran-1-ylphenyl)-4-(9,9-dimethyl-7-phenylfluoren-3-yl)-N-phenylaniline
CID 168839762
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
2-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
N-[2-dibenzofuran-1-yl-3-(4-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285876
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
CID 159095714
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?
The IUPAC name of 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran (CID 167347291) is 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?
The canonical SMILES for 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran is Cc1c(C)c(C)c2c(-c3cccc4oc5ccccc5c34)c3c(C)c(C)c(C)c(C)c3c(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c2c1C.
What is the InChIKey of 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?
The InChIKey is ODMWWPBPGSBAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48O/c1-29-31(3)35(7)50-48(33(29)5)52(39-24-26-41-40-25-23-38(37-17-12-11-13-18-37)27-44(40)55(9,10)45(41)28-39)49-34(6)30(2)32(4)36(8)51(49)54(50)43-20-16-22-47-53(43)42-19-14-15-21-46(42)56-47/h11-28H,1-10H3.
What are the key properties of 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran?
1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran has a molecular weight of 724.99 g/mol, XLogP of 15.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-dimethyl-7-phenylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167347291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).