9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde

C37H34N2O — CID 156767863

IUPAC9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
SMILESCCCCCCn1c2ccc(C=O)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C37H34N2O/c1-2-3-4-11-24-38-36-22-16-28(27-40)25-34(36)35-26-30(19-23-37(35)38)29-17-20-33(21-18-29)39(31-12-7-5-8-13-31)32-14-9-6-10-15-32/h5-10,12-23,25-27H,2-4,11,24H2,1H3
InChIKeyDGPKJNOQXQZMAO-UHFFFAOYSA-N
MW522.69 g/mol
LogP10.32
Rot. Bonds10

About 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde

9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde (PubChem CID 156767863) has the molecular formula C37H34N2O and a molecular weight of 522.69 g/mol. Its IUPAC name is 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
PubChem CID156767863
Molecular FormulaC37H34N2O
Molecular Weight522.69 g/mol
Exact Mass522.27
IUPAC Name9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
SMILESCCCCCCn1c2ccc(C=O)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21
InChIInChI=1S/C37H34N2O/c1-2-3-4-11-24-38-36-22-16-28(27-40)25-34(36)35-26-30(19-23-37(35)38)29-17-20-33(21-18-29)39(31-12-7-5-8-13-31)32-14-9-6-10-15-32/h5-10,12-23,25-27H,2-4,11,24H2,1H3
InChIKeyDGPKJNOQXQZMAO-UHFFFAOYSA-N
XLogP10.32
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]thiophene-2-carbaldehyde
CID 102491581
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
4-[14,23-bis(4-formylphenyl)-18,27-dihexyl-9-methyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]benzaldehyde
CID 143088809
4-[9-dodecyl-6,8-bis[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 102495876
9-octylcarbazole-2-carbaldehyde
CID 71623415
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
6-(1,3-benzothiazol-2-yl)-9-hexylcarbazole-3-carbaldehyde
CID 175666510
9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
CID 156767860
9-hexyl-3-N,6-N-dinaphthalen-2-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 142740904
N,N-bis(4-methoxyphenyl)-4-[9,18,27-trihexyl-14,23-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaen-5-yl]aniline
CID 131970444
9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
CID 156767867
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759

Frequently Asked Questions

What is the IUPAC name of 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde (CID 156767863) is 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde is CCCCCCn1c2ccc(C=O)cc2c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21.
What is the InChIKey of 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde?
The InChIKey is DGPKJNOQXQZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O/c1-2-3-4-11-24-38-36-22-16-28(27-40)25-34(36)35-26-30(19-23-37(35)38)29-17-20-33(21-18-29)39(31-12-7-5-8-13-31)32-14-9-6-10-15-32/h5-10,12-23,25-27H,2-4,11,24H2,1H3.
What are the key properties of 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde?
9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde has a molecular weight of 522.69 g/mol, XLogP of 10.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 156767863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).