2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran

C41H30O2 — CID 90394195

IUPAC2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran
SMILESCCC1(CC)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C41H30O2/c1-3-41(4-2)35-23-27(25-15-19-39-33(21-25)31-9-5-7-11-37(31)42-39)13-17-29(35)30-18-14-28(24-36(30)41)26-16-20-40-34(22-26)32-10-6-8-12-38(32)43-40/h5-24H,3-4H2,1-2H3
InChIKeyINMHZCYTNZTMNB-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.91
Rot. Bonds4

About 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran

2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran (PubChem CID 90394195) has the molecular formula C41H30O2 and a molecular weight of 554.69 g/mol. Its IUPAC name is 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran
PubChem CID90394195
Molecular FormulaC41H30O2
Molecular Weight554.69 g/mol
Exact Mass554.22
IUPAC Name2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran
SMILESCCC1(CC)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C41H30O2/c1-3-41(4-2)35-23-27(25-15-19-39-33(21-25)31-9-5-7-11-37(31)42-39)13-17-29(35)30-18-14-28(24-36(30)41)26-16-20-40-34(22-26)32-10-6-8-12-38(32)43-40/h5-24H,3-4H2,1-2H3
InChIKeyINMHZCYTNZTMNB-UHFFFAOYSA-N
XLogP11.91
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran?
The IUPAC name of 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran (CID 90394195) is 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran is CCC1(CC)c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran?
The InChIKey is INMHZCYTNZTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30O2/c1-3-41(4-2)35-23-27(25-15-19-39-33(21-25)31-9-5-7-11-37(31)42-39)13-17-29(35)30-18-14-28(24-36(30)41)26-16-20-40-34(22-26)32-10-6-8-12-38(32)43-40/h5-24H,3-4H2,1-2H3.
What are the key properties of 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran?
2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran has a molecular weight of 554.69 g/mol, XLogP of 11.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-2-yl-9,9-diethylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 90394195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).