5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine

C48H39NO — CID 118081164

About 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine

5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine (PubChem CID 118081164) has the molecular formula C48H39NO and a molecular weight of 645.85 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine.

Molecular Properties

• Compound Name: 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine
• PubChem CID: 118081164
• Molecular Formula: C48H39NO
• Molecular Weight: 645.85 g/mol
• Exact Mass: 645.30
• IUPAC Name: 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine
• SMILES: CC1(C)c2ccccc2Oc2c1ccc1c2-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc4ccccc4c3)cc2C1(C)C
• InChI: InChI=1S/C48H39NO/c1-47(2)40-16-10-11-17-44(40)50-46-42(47)29-28-41-45(46)39-27-26-38(31-43(39)48(41,3)4)49(37-25-22-34-14-8-9-15-35(34)30-37)36-23-20-33(21-24-36)19-18-32-12-6-5-7-13-32/h5-31H,1-4H3/b19-18+
• InChIKey: SEMVMIIPZJZSAD-VHEBQXMUSA-N
• XLogP: 13.22
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.85
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine?

The IUPAC name of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine (CID 118081164) is 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine.

What is the SMILES notation for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine?

The canonical SMILES for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine is CC1(C)c2ccccc2Oc2c1ccc1c2-c2ccc(N(c3ccc(/C=C/c4ccccc4)cc3)c3ccc4ccccc4c3)cc2C1(C)C.

What is the InChIKey of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine?

The InChIKey is SEMVMIIPZJZSAD-VHEBQXMUSA-N. The full InChI is InChI=1S/C48H39NO/c1-47(2)40-16-10-11-17-44(40)50-46-42(47)29-28-41-45(46)39-27-26-38(31-43(39)48(41,3)4)49(37-25-22-34-14-8-9-15-35(34)30-37)36-23-20-33(21-24-36)19-18-32-12-6-5-7-13-32/h5-31H,1-4H3/b19-18+.

What are the key properties of 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine?

5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine has a molecular weight of 645.85 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,8,8-tetramethyl-N-naphthalen-2-yl-N-[4-[(E)-2-phenylethenyl]phenyl]indeno[2,1-c]xanthen-10-amine is sourced from PubChem (CID 118081164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).