6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde

C37H31NO — CID 89335581

About 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde

6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde (PubChem CID 89335581) has the molecular formula C37H31NO and a molecular weight of 505.66 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde.

Molecular Properties

• Compound Name: 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
• PubChem CID: 89335581
• Molecular Formula: C37H31NO
• Molecular Weight: 505.66 g/mol
• Exact Mass: 505.24
• IUPAC Name: 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde
• SMILES: CC1(C)c2cc(C=O)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
• InChI: InChI=1S/C37H31NO/c1-36(2)32-19-24(23-39)15-17-28(32)30-21-35-31(22-34(30)36)29-18-16-27(20-33(29)37(35,3)4)38(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-23H,1-4H3
• InChIKey: JSWDQCPOTSWTRR-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 20.31 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.66
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde?

The IUPAC name of 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde (CID 89335581) is 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde.

What is the SMILES notation for 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde?

The canonical SMILES for 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde is CC1(C)c2cc(C=O)ccc2-c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C.

What is the InChIKey of 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde?

The InChIKey is JSWDQCPOTSWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO/c1-36(2)32-19-24(23-39)15-17-28(32)30-21-35-31(22-34(30)36)29-18-16-27(20-33(29)37(35,3)4)38(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-23H,1-4H3.

What are the key properties of 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde?

6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde has a molecular weight of 505.66 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,6,12,12-tetramethyl-2-(N-phenylanilino)indeno[1,2-b]fluorene-8-carbaldehyde is sourced from PubChem (CID 89335581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).