1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran

C46H34O — CID 145360755

IUPAC1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2c(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4oc5ccccc5c34)cccc21
InChIInChI=1S/C46H34O/c1-46(2)39-18-8-6-14-35(39)44-37(16-10-19-40(44)46)43(38-17-11-21-42-45(38)36-15-7-9-20-41(36)47-42)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h3-29,43H,1-2H3
InChIKeyVNRVUBJIQBTVFA-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.41
Rot. Bonds5

About 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran

1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran (PubChem CID 145360755) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran.

Molecular Properties

Compound Name1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
PubChem CID145360755
Molecular FormulaC46H34O
Molecular Weight602.78 g/mol
Exact Mass602.26
IUPAC Name1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran
SMILESCC1(C)c2ccccc2-c2c(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4oc5ccccc5c34)cccc21
InChIInChI=1S/C46H34O/c1-46(2)39-18-8-6-14-35(39)44-37(16-10-19-40(44)46)43(38-17-11-21-42-45(38)36-15-7-9-20-41(36)47-42)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h3-29,43H,1-2H3
InChIKeyVNRVUBJIQBTVFA-UHFFFAOYSA-N
XLogP12.41
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295228
1-[1-(9,9-dimethylfluoren-2-yl)-2-[5-phenyl-2-(4-phenylphenyl)phenyl]ethyl]dibenzofuran
CID 164529127
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
11,11-dimethyl-12-phenyl-6-(10-phenylanthracen-9-yl)fluoreno[3,2-b][1]benzofuran
CID 129254631
6-(9,9-dimethylfluoren-2-yl)-1-[(9,9-diphenylfluoren-2-yl)-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295503
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835
6-(9,9-dimethylfluoren-2-yl)-1-[9H-fluoren-1-yl-(4-phenylphenyl)methyl]naphtho[2,3-b][1]benzofuran
CID 169295476
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 176583226
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947

Frequently Asked Questions

What is the IUPAC name of 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran?
The IUPAC name of 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran (CID 145360755) is 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran.
What is the SMILES notation for 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran?
The canonical SMILES for 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran is CC1(C)c2ccccc2-c2c(C(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cccc4oc5ccccc5c34)cccc21.
What is the InChIKey of 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran?
The InChIKey is VNRVUBJIQBTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-46(2)39-18-8-6-14-35(39)44-37(16-10-19-40(44)46)43(38-17-11-21-42-45(38)36-15-7-9-20-41(36)47-42)34-28-26-33(27-29-34)32-24-22-31(23-25-32)30-12-4-3-5-13-30/h3-29,43H,1-2H3.
What are the key properties of 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran?
1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran has a molecular weight of 602.78 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9,9-dimethylfluoren-4-yl)-[4-(4-phenylphenyl)phenyl]methyl]dibenzofuran is sourced from PubChem (CID 145360755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).