4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde

C28H23NO — CID 155015317

IUPAC4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
SMILESC=Cc1ccc(-n2c3c(c4cc(-c5ccc(C=O)cc5)ccc42)C=CCC3C)cc1
InChIInChI=1S/C28H23NO/c1-3-20-9-14-24(15-10-20)29-27-16-13-23(22-11-7-21(18-30)8-12-22)17-26(27)25-6-4-5-19(2)28(25)29/h3-4,6-19H,1,5H2,2H3
InChIKeyFDTXQPAOWMOZKW-UHFFFAOYSA-N
MW389.50 g/mol
LogP7.27
Rot. Bonds4

About 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde

4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde (PubChem CID 155015317) has the molecular formula C28H23NO and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
PubChem CID155015317
Molecular FormulaC28H23NO
Molecular Weight389.50 g/mol
Exact Mass389.18
IUPAC Name4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde
SMILESC=Cc1ccc(-n2c3c(c4cc(-c5ccc(C=O)cc5)ccc42)C=CCC3C)cc1
InChIInChI=1S/C28H23NO/c1-3-20-9-14-24(15-10-20)29-27-16-13-23(22-11-7-21(18-30)8-12-22)17-26(27)25-6-4-5-19(2)28(25)29/h3-4,6-19H,1,5H2,2H3
InChIKeyFDTXQPAOWMOZKW-UHFFFAOYSA-N
XLogP7.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 166670155
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
CID 134535308
3-(4-chlorophenyl)-9-(4-ethenylphenyl)carbazole
CID 154697373
N-[4-[9-(4-ethenylphenyl)-6-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142340184
3-chloro-6-(4-ethenylphenyl)-9-phenylcarbazole
CID 155172977
4-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 155015689
(8-methyl-9-phenyl-7,8-dihydrocarbazol-2-yl)boronic acid
CID 163561656
11-(1-methyl-1,2-dihydrocarbazol-9-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 123369795
6,9-bis(4-ethenylphenyl)-N-phenylcarbazol-3-amine
CID 166764079
15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163836477
3-cyclohexa-1,5-dien-1-yl-6-(6,9-diphenyl-1,2-dihydrocarbazol-1-yl)-9-phenylcarbazole
CID 167138282

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde?
The IUPAC name of 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde (CID 155015317) is 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde.
What is the SMILES notation for 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde?
The canonical SMILES for 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde is C=Cc1ccc(-n2c3c(c4cc(-c5ccc(C=O)cc5)ccc42)C=CCC3C)cc1.
What is the InChIKey of 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde?
The InChIKey is FDTXQPAOWMOZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO/c1-3-20-9-14-24(15-10-20)29-27-16-13-23(22-11-7-21(18-30)8-12-22)17-26(27)25-6-4-5-19(2)28(25)29/h3-4,6-19H,1,5H2,2H3.
What are the key properties of 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde?
4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde has a molecular weight of 389.50 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-ethenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]benzaldehyde is sourced from PubChem (CID 155015317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).