4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde

C40H25N5O — CID 131993001

About 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde

4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde (PubChem CID 131993001) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde.

Molecular Properties

• Compound Name: 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
• PubChem CID: 131993001
• Molecular Formula: C40H25N5O
• Molecular Weight: 591.67 g/mol
• Exact Mass: 591.21
• IUPAC Name: 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde
• SMILES: O=Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
• InChI: InChI=1S/C40H25N5O/c46-25-26-19-21-29(22-20-26)44-34-18-10-8-16-32(34)36-35(44)24-23-31-30-15-7-9-17-33(30)45(37(31)36)40-42-38(27-11-3-1-4-12-27)41-39(43-40)28-13-5-2-6-14-28/h1-25H
• InChIKey: CLNOTQWEFGWBGQ-UHFFFAOYSA-N
• XLogP: 9.21
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.67
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?

The IUPAC name of 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde (CID 131993001) is 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde.

What is the SMILES notation for 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?

The canonical SMILES for 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde is O=Cc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.

What is the InChIKey of 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?

The InChIKey is CLNOTQWEFGWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c46-25-26-19-21-29(22-20-26)44-34-18-10-8-16-32(34)36-35(44)24-23-31-30-15-7-9-17-33(30)45(37(31)36)40-42-38(27-11-3-1-4-12-27)41-39(43-40)28-13-5-2-6-14-28/h1-25H.

What are the key properties of 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde?

4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde has a molecular weight of 591.67 g/mol, XLogP of 9.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]benzaldehyde is sourced from PubChem (CID 131993001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).