9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde

C39H30N2OS — CID 156767867

IUPAC9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21
InChIInChI=1S/C39H30N2OS/c1-2-40-37-22-14-28(25-35(37)36-26-29(27-42)15-23-38(36)40)13-20-34-21-24-39(43-34)30-16-18-33(19-17-30)41(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-27H,2H2,1H3
InChIKeyGKFWGGFPFJFFFZ-UHFFFAOYSA-N
MW574.75 g/mol
LogP11.00
Rot. Bonds8

About 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde

9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde (PubChem CID 156767867) has the molecular formula C39H30N2OS and a molecular weight of 574.75 g/mol. Its IUPAC name is 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
PubChem CID156767867
Molecular FormulaC39H30N2OS
Molecular Weight574.75 g/mol
Exact Mass574.21
IUPAC Name9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde
SMILESCCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21
InChIInChI=1S/C39H30N2OS/c1-2-40-37-22-14-28(25-35(37)36-26-29(27-42)15-23-38(36)40)13-20-34-21-24-39(43-34)30-16-18-33(19-17-30)41(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-27H,2H2,1H3
InChIKeyGKFWGGFPFJFFFZ-UHFFFAOYSA-N
XLogP11.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.75
LogP ≤ 511.00
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

9-ethyl-6-[2-[4-(N-phenylanilino)phenyl]ethenyl]carbazole-3-carbaldehyde
CID 156767860
9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazole-3-carbaldehyde
CID 156767863
5-[9-hexyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]thiophene-2-carbaldehyde
CID 102491581
5-[4-[2-[2-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]thiophene-2-carbaldehyde
CID 141409113
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
6-(1,3-benzothiazol-2-yl)-9-ethylcarbazole-3-carbaldehyde
CID 141259148
6-(2,2-diphenylethenyl)-9-ethylcarbazole-3-carbaldehyde
CID 18931899
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
1-N-phenyl-1-N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[9-phenyl-6-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 118402477
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-1-benzofuran-6-carbaldehyde
CID 147855025
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde (CID 156767867) is 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde is CCn1c2ccc(C=O)cc2c2cc(C=Cc3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)ccc21.
What is the InChIKey of 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde?
The InChIKey is GKFWGGFPFJFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2OS/c1-2-40-37-22-14-28(25-35(37)36-26-29(27-42)15-23-38(36)40)13-20-34-21-24-39(43-34)30-16-18-33(19-17-30)41(31-9-5-3-6-10-31)32-11-7-4-8-12-32/h3-27H,2H2,1H3.
What are the key properties of 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde?
9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde has a molecular weight of 574.75 g/mol, XLogP of 11.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-[2-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]ethenyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 156767867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).