4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde

C43H27N3O — CID 24814953

IUPAC4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
SMILESO=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C43H27N3O/c47-27-28-17-19-29(20-18-28)44-40-15-7-3-11-34(40)36-26-31(21-23-42(36)44)46-41-16-8-4-12-35(41)37-25-30(22-24-43(37)46)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45/h1-27H
InChIKeyNOWSAKFMMJMVCX-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.79
Rot. Bonds4

About 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde

4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde (PubChem CID 24814953) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
PubChem CID24814953
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde
SMILESO=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C43H27N3O/c47-27-28-17-19-29(20-18-28)44-40-15-7-3-11-34(40)36-26-31(21-23-42(36)44)46-41-16-8-4-12-35(41)37-25-30(22-24-43(37)46)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45/h1-27H
InChIKeyNOWSAKFMMJMVCX-UHFFFAOYSA-N
XLogP10.79
TPSA31.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-(4-ethoxyphenyl)carbazole-3-carbaldehyde
CID 140847862
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
4-[3,6-bis(2-phenylethynyl)carbazol-9-yl]benzaldehyde
CID 46211216

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde?
The IUPAC name of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde (CID 24814953) is 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde.
What is the SMILES notation for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde?
The canonical SMILES for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde is O=Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.
What is the InChIKey of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde?
The InChIKey is NOWSAKFMMJMVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c47-27-28-17-19-29(20-18-28)44-40-15-7-3-11-34(40)36-26-31(21-23-42(36)44)46-41-16-8-4-12-35(41)37-25-30(22-24-43(37)46)45-38-13-5-1-9-32(38)33-10-2-6-14-39(33)45/h1-27H.
What are the key properties of 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde?
4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde has a molecular weight of 601.71 g/mol, XLogP of 10.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]benzaldehyde is sourced from PubChem (CID 24814953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).