10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine

C48H43N — CID 90368522

About 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine

10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine (PubChem CID 90368522) has the molecular formula C48H43N and a molecular weight of 633.88 g/mol. Its IUPAC name is 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine.

Molecular Properties

• Compound Name: 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine
• PubChem CID: 90368522
• Molecular Formula: C48H43N
• Molecular Weight: 633.88 g/mol
• Exact Mass: 633.34
• IUPAC Name: 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine
• SMILES: CCC(C)(Nc1c2ccccc2c(-c2ccccc2)c2ccccc12)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3
• InChI: InChI=1S/C48H43N/c1-7-48(6,49-45-36-22-13-11-20-34(36)44(30-17-9-8-10-18-30)35-21-12-14-23-37(35)45)31-25-26-33-39-29-42-38(28-43(39)47(4,5)41(33)27-31)32-19-15-16-24-40(32)46(42,2)3/h8-29,49H,7H2,1-6H3
• InChIKey: SAWFUAHAYJGTSH-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.88
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	1
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 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine?

The IUPAC name of 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine (CID 90368522) is 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine.

What is the SMILES notation for 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine?

The canonical SMILES for 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine is CCC(C)(Nc1c2ccccc2c(-c2ccccc2)c2ccccc12)c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1ccccc1-3.

What is the InChIKey of 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine?

The InChIKey is SAWFUAHAYJGTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H43N/c1-7-48(6,49-45-36-22-13-11-20-34(36)44(30-17-9-8-10-18-30)35-21-12-14-23-37(35)45)31-25-26-33-39-29-42-38(28-43(39)47(4,5)41(33)27-31)32-19-15-16-24-40(32)46(42,2)3/h8-29,49H,7H2,1-6H3.

What are the key properties of 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine?

10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine has a molecular weight of 633.88 g/mol, XLogP of 13.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-N-[2-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)butan-2-yl]anthracen-9-amine is sourced from PubChem (CID 90368522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).