9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde

C28H22O3 — CID 174747759

IUPAC9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(C=O)cc32)cc1
InChIInChI=1S/C28H22O3/c1-30-22-12-8-20(9-13-22)28(21-10-14-23(31-2)15-11-21)26-6-4-3-5-24(26)25-16-7-19(18-29)17-27(25)28/h3-18H,1-2H3
InChIKeyZTFCMBUTYAGSQP-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.88
Rot. Bonds5

About 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde

9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde (PubChem CID 174747759) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde.

Molecular Properties

Compound Name9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
PubChem CID174747759
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
SMILESCOc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(C=O)cc32)cc1
InChIInChI=1S/C28H22O3/c1-30-22-12-8-20(9-13-22)28(21-10-14-23(31-2)15-11-21)26-6-4-3-5-24(26)25-16-7-19(18-29)17-27(25)28/h3-18H,1-2H3
InChIKeyZTFCMBUTYAGSQP-UHFFFAOYSA-N
XLogP5.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
2-ethenyl-9,9-diphenylfluorene
CID 144583514
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde
CID 14334392
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 155719011
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
2-(hydroxymethyl)-9,9'-spirobi[fluorene]-2'-carbaldehyde
CID 22016048
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde?
The IUPAC name of 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde (CID 174747759) is 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde.
What is the SMILES notation for 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde?
The canonical SMILES for 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde is COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccc(C=O)cc32)cc1.
What is the InChIKey of 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde?
The InChIKey is ZTFCMBUTYAGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-30-22-12-8-20(9-13-22)28(21-10-14-23(31-2)15-11-21)26-6-4-3-5-24(26)25-16-7-19(18-29)17-27(25)28/h3-18H,1-2H3.
What are the key properties of 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde?
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde has a molecular weight of 406.48 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde is sourced from PubChem (CID 174747759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).