11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline

C40H25NO — CID 138661477

IUPAC11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C40H25NO/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-38-30-20-9-12-25-35(30)42-39(37)38/h1-25H
InChIKeyYUZDDYRGPSGPBT-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.16
Rot. Bonds3

About 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline

11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661477) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline
PubChem CID138661477
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5c4oc4ccccc45)cccc32)cc1
InChIInChI=1S/C40H25NO/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-38-30-20-9-12-25-35(30)42-39(37)38/h1-25H
InChIKeyYUZDDYRGPSGPBT-UHFFFAOYSA-N
XLogP10.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
CID 138661461
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171602100
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-N-methylaniline
CID 174178797
bis(4-phenyl-2-(2,9,9-triphenylfluoren-3-yl)-[1]benzofuro[3,2-d]pyrimidine);bis(4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine)
CID 161102117
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
[1]benzofuro[3,2-b]quinolin-11-amine
CID 143056669
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
4-dibenzofuran-1-yl-2-(9,9'-spirobi[fluorene]-4'-yl)quinoline
CID 126536750

Frequently Asked Questions

What is the IUPAC name of 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline (CID 138661477) is 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4c5ccccc5nc5c4oc4ccccc45)cccc32)cc1.
What is the InChIKey of 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline?
The InChIKey is YUZDDYRGPSGPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-3-14-26(15-4-1)40(27-16-5-2-6-17-27)32-22-10-7-18-28(32)36-31(21-13-23-33(36)40)37-29-19-8-11-24-34(29)41-38-30-20-9-12-25-35(30)42-39(37)38/h1-25H.
What are the key properties of 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline?
11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline has a molecular weight of 535.65 g/mol, XLogP of 10.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).