4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran

C49H30O2 — CID 135131477

IUPAC4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C49H30O2/c1-3-13-33(14-4-1)49(34-15-5-2-6-16-34)43-29-31(35-19-11-21-41-39-17-7-9-23-45(39)50-47(35)41)25-27-37(43)38-28-26-32(30-44(38)49)36-20-12-22-42-40-18-8-10-24-46(40)51-48(36)42/h1-30H
InChIKeyHZWBYMKQEZAEFY-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.18
Rot. Bonds4

About 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran

4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran (PubChem CID 135131477) has the molecular formula C49H30O2 and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
PubChem CID135131477
Molecular FormulaC49H30O2
Molecular Weight650.78 g/mol
Exact Mass650.22
IUPAC Name4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C49H30O2/c1-3-13-33(14-4-1)49(34-15-5-2-6-16-34)43-29-31(35-19-11-21-41-39-17-7-9-23-45(39)50-47(35)41)25-27-37(43)38-28-26-32(30-44(38)49)36-20-12-22-42-40-18-8-10-24-46(40)51-48(36)42/h1-30H
InChIKeyHZWBYMKQEZAEFY-UHFFFAOYSA-N
XLogP13.18
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

buta-1,3-diene;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran;prop-1-ene
CID 144627482
3-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)phenanthro[9,10-b]pyrazine
CID 58409973
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
3-[7-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063365
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204

Frequently Asked Questions

What is the IUPAC name of 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran?
The IUPAC name of 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran (CID 135131477) is 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran.
What is the SMILES notation for 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran?
The canonical SMILES for 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran is c1ccc(C2(c3ccccc3)c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccc(-c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran?
The InChIKey is HZWBYMKQEZAEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30O2/c1-3-13-33(14-4-1)49(34-15-5-2-6-16-34)43-29-31(35-19-11-21-41-39-17-7-9-23-45(39)50-47(35)41)25-27-37(43)38-28-26-32(30-44(38)49)36-20-12-22-42-40-18-8-10-24-46(40)51-48(36)42/h1-30H.
What are the key properties of 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran?
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran has a molecular weight of 650.78 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran is sourced from PubChem (CID 135131477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).