9-(4-ethoxyphenyl)carbazole-3-carbaldehyde

C21H17NO2 — CID 140847862

IUPAC9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
SMILESCCOc1ccc(-n2c3ccccc3c3cc(C=O)ccc32)cc1
InChIInChI=1S/C21H17NO2/c1-2-24-17-10-8-16(9-11-17)22-20-6-4-3-5-18(20)19-13-15(14-23)7-12-21(19)22/h3-14H,2H2,1H3
InChIKeyIVXUTUUSVWILHY-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.99
Rot. Bonds4

About 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde

9-(4-ethoxyphenyl)carbazole-3-carbaldehyde (PubChem CID 140847862) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
PubChem CID140847862
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
SMILESCCOc1ccc(-n2c3ccccc3c3cc(C=O)ccc32)cc1
InChIInChI=1S/C21H17NO2/c1-2-24-17-10-8-16(9-11-17)22-20-6-4-3-5-18(20)19-13-15(14-23)7-12-21(19)22/h3-14H,2H2,1H3
InChIKeyIVXUTUUSVWILHY-UHFFFAOYSA-N
XLogP4.99
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.99
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

4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
CID 24814953
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
4-[6-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenoxy]hexyl-ethylamino]benzaldehyde
CID 89353823
4-[3-(N-[9-(4-methoxyphenyl)carbazol-3-yl]-4-phenylanilino)carbazol-9-yl]benzaldehyde
CID 126585558
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
[4-[4-(2-ethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 178181460
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole-3-carbaldehyde;9H-fluorene;1-iodo-4-(4-iodophenyl)benzene
CID 161254046
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
CID 138505630
4-[3,6-bis(2-phenylethynyl)carbazol-9-yl]benzaldehyde
CID 46211216
5,12-diphenylindolo[3,2-c]carbazole-10-carbaldehyde
CID 140956390

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde?
The IUPAC name of 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde (CID 140847862) is 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde.
What is the SMILES notation for 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde?
The canonical SMILES for 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde is CCOc1ccc(-n2c3ccccc3c3cc(C=O)ccc32)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde?
The InChIKey is IVXUTUUSVWILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-24-17-10-8-16(9-11-17)22-20-6-4-3-5-18(20)19-13-15(14-23)7-12-21(19)22/h3-14H,2H2,1H3.
What are the key properties of 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde?
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde has a molecular weight of 315.37 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)carbazole-3-carbaldehyde is sourced from PubChem (CID 140847862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).