(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone

C44H26O2 — CID 59133482

IUPAC(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C44H26O2/c45-42(28-22-20-27(21-23-28)30-14-9-15-36-35-13-4-8-19-41(35)46-43(30)36)29-24-25-34-33-12-3-7-18-39(33)44(40(34)26-29)37-16-5-1-10-31(37)32-11-2-6-17-38(32)44/h1-26H
InChIKeyNQSWPYOQCDWJPL-UHFFFAOYSA-N
MW586.69 g/mol
LogP10.83
Rot. Bonds3

About (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone

(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone (PubChem CID 59133482) has the molecular formula C44H26O2 and a molecular weight of 586.69 g/mol. Its IUPAC name is (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone.

Molecular Properties

Compound Name(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
PubChem CID59133482
Molecular FormulaC44H26O2
Molecular Weight586.69 g/mol
Exact Mass586.19
IUPAC Name(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
SMILESO=C(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C44H26O2/c45-42(28-22-20-27(21-23-28)30-14-9-15-36-35-13-4-8-19-41(35)46-43(30)36)29-24-25-34-33-12-3-7-18-39(33)44(40(34)26-29)37-16-5-1-10-31(37)32-11-2-6-17-38(32)44/h1-26H
InChIKeyNQSWPYOQCDWJPL-UHFFFAOYSA-N
XLogP10.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
(4-bromophenyl)-(3-dibenzofuran-4-ylphenyl)methanone
CID 66669293
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
(9,9-dimethylfluoren-2-yl)-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylmethanone
CID 122627133
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368787
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373

Frequently Asked Questions

What is the IUPAC name of (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The IUPAC name of (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone (CID 59133482) is (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone.
What is the SMILES notation for (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The canonical SMILES for (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone is O=C(c1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
The InChIKey is NQSWPYOQCDWJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O2/c45-42(28-22-20-27(21-23-28)30-14-9-15-36-35-13-4-8-19-41(35)46-43(30)36)29-24-25-34-33-12-3-7-18-39(33)44(40(34)26-29)37-16-5-1-10-31(37)32-11-2-6-17-38(32)44/h1-26H.
What are the key properties of (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone?
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone has a molecular weight of 586.69 g/mol, XLogP of 10.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone is sourced from PubChem (CID 59133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).