2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran

C43H28O — CID 138474933

IUPAC2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5oc6ccccc6c5c4)ccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H28O/c1-4-12-29(13-5-1)30-20-23-39-36(26-30)37-27-31(32-22-25-42-38(28-32)35-18-10-11-19-41(35)44-42)21-24-40(37)43(39,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-28H
InChIKeySECDJONOBGZPRW-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.28
Rot. Bonds4

About 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran

2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran (PubChem CID 138474933) has the molecular formula C43H28O and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran.

Molecular Properties

Compound Name2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
PubChem CID138474933
Molecular FormulaC43H28O
Molecular Weight560.70 g/mol
Exact Mass560.21
IUPAC Name2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5oc6ccccc6c5c4)ccc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H28O/c1-4-12-29(13-5-1)30-20-23-39-36(26-30)37-27-31(32-22-25-42-38(28-32)35-18-10-11-19-41(35)44-42)21-24-40(37)43(39,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-28H
InChIKeySECDJONOBGZPRW-UHFFFAOYSA-N
XLogP11.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
CID 177079133
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
2-[4-[2-phenyl-1-[5-(6,9,9-triphenylfluoren-3-yl)naphthalen-1-yl]ethenyl]phenyl]dibenzofuran
CID 156827496
N-(4-dibenzofuran-3-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-N-phenylaniline
CID 168839753
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
2-(9,11,11-triphenylbenzo[a]fluoren-2-yl)dibenzofuran
CID 166034498
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905

Frequently Asked Questions

What is the IUPAC name of 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran?
The IUPAC name of 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran (CID 138474933) is 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran.
What is the SMILES notation for 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran?
The canonical SMILES for 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc5oc6ccccc6c5c4)ccc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran?
The InChIKey is SECDJONOBGZPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28O/c1-4-12-29(13-5-1)30-20-23-39-36(26-30)37-27-31(32-22-25-42-38(28-32)35-18-10-11-19-41(35)44-42)21-24-40(37)43(39,33-14-6-2-7-15-33)34-16-8-3-9-17-34/h1-28H.
What are the key properties of 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran?
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran has a molecular weight of 560.70 g/mol, XLogP of 11.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran is sourced from PubChem (CID 138474933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).