4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde

C50H34N4O2 — CID 163197766

IUPAC4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
SMILESNc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=O)cc4)ccc2n3-n2c3ccc(-c4ccc(N)cc4)cc3c3cc(-c4ccc(C=O)cc4)ccc32)cc1
InChIInChI=1S/C50H34N4O2/c51-41-17-9-35(10-18-41)39-15-23-49-45(27-39)43-25-37(33-5-1-31(29-55)2-6-33)13-21-47(43)53(49)54-48-22-14-38(34-7-3-32(30-56)4-8-34)26-44(48)46-28-40(16-24-50(46)54)36-11-19-42(52)20-12-36/h1-30H,51-52H2
InChIKeyPVYCVHOHEBQHAI-UHFFFAOYSA-N
MW722.85 g/mol
LogP11.67
Rot. Bonds7

About 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde

4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde (PubChem CID 163197766) has the molecular formula C50H34N4O2 and a molecular weight of 722.85 g/mol. Its IUPAC name is 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
PubChem CID163197766
Molecular FormulaC50H34N4O2
Molecular Weight722.85 g/mol
Exact Mass722.27
IUPAC Name4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde
SMILESNc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=O)cc4)ccc2n3-n2c3ccc(-c4ccc(N)cc4)cc3c3cc(-c4ccc(C=O)cc4)ccc32)cc1
InChIInChI=1S/C50H34N4O2/c51-41-17-9-35(10-18-41)39-15-23-49-45(27-39)43-25-37(33-5-1-31(29-55)2-6-33)13-21-47(43)53(49)54-48-22-14-38(34-7-3-32(30-56)4-8-34)26-44(48)46-28-40(16-24-50(46)54)36-11-19-42(52)20-12-36/h1-30H,51-52H2
InChIKeyPVYCVHOHEBQHAI-UHFFFAOYSA-N
XLogP11.67
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 511.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)benzaldehyde
CID 1393544
4-aminobenzaldehyde
CID 174906134
4-aminobenzaldehyde;ethene
CID 22154861
4-triphenylen-2-ylbenzaldehyde
CID 58078284
5-(4-aminophenyl)pyridine-3-carbaldehyde
CID 87406036
4-(2-amino-4-hydrazinylquinazolin-6-yl)benzaldehyde
CID 87656285
5-(4-aminophenyl)-1-phenylindole-2-carbaldehyde
CID 123494095
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
4-N-[6-[6-[6-(4-amino-N-methylanilino)-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-4-N-methylbenzene-1,4-diamine
CID 142376867
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-[3-(4-bromophenyl)carbazol-9-yl]aniline
CID 59282033

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde?
The IUPAC name of 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde (CID 163197766) is 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde.
What is the SMILES notation for 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde?
The canonical SMILES for 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde is Nc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C=O)cc4)ccc2n3-n2c3ccc(-c4ccc(N)cc4)cc3c3cc(-c4ccc(C=O)cc4)ccc32)cc1.
What is the InChIKey of 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde?
The InChIKey is PVYCVHOHEBQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4O2/c51-41-17-9-35(10-18-41)39-15-23-49-45(27-39)43-25-37(33-5-1-31(29-55)2-6-33)13-21-47(43)53(49)54-48-22-14-38(34-7-3-32(30-56)4-8-34)26-44(48)46-28-40(16-24-50(46)54)36-11-19-42(52)20-12-36/h1-30H,51-52H2.
What are the key properties of 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde?
4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde has a molecular weight of 722.85 g/mol, XLogP of 11.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminophenyl)-9-[3-(4-aminophenyl)-6-(4-formylphenyl)carbazol-9-yl]carbazol-3-yl]benzaldehyde is sourced from PubChem (CID 163197766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).