7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline

C43H31N — CID 88549693

About 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline

7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline (PubChem CID 88549693) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline.

Molecular Properties

• Compound Name: 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline
• PubChem CID: 88549693
• Molecular Formula: C43H31N
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.25
• IUPAC Name: 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline
• SMILES: Cc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3cccnc3c1-2
• InChI: InChI=1S/C43H31N/c1-26-18-21-35-37(23-26)43(2,3)38-25-36(34-17-10-22-44-42(34)41(35)38)40-32-15-8-6-13-30(32)39(31-14-7-9-16-33(31)40)29-20-19-27-11-4-5-12-28(27)24-29/h4-25H,1-3H3
• InChIKey: TXIVWQRQAGALBK-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline?

The IUPAC name of 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline (CID 88549693) is 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline.

What is the SMILES notation for 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline?

The canonical SMILES for 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline is Cc1ccc2c(c1)C(C)(C)c1cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3cccnc3c1-2.

What is the InChIKey of 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline?

The InChIKey is TXIVWQRQAGALBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-26-18-21-35-37(23-26)43(2,3)38-25-36(34-17-10-22-44-42(34)41(35)38)40-32-15-8-6-13-30(32)39(31-14-7-9-16-33(31)40)29-20-19-27-11-4-5-12-28(27)24-29/h4-25H,1-3H3.

What are the key properties of 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline?

7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline has a molecular weight of 561.73 g/mol, XLogP of 11.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7,9-trimethyl-5-(10-naphthalen-2-ylanthracen-9-yl)indeno[2,1-h]quinoline is sourced from PubChem (CID 88549693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).