4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline

C50H37N — CID 168837037

About 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline

4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline (PubChem CID 168837037) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline.

Molecular Properties

• Compound Name: 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
• PubChem CID: 168837037
• Molecular Formula: C50H37N
• Molecular Weight: 651.85 g/mol
• Exact Mass: 651.29
• IUPAC Name: 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4cc5ccccc5cc34)cc2)cc1
• InChI: InChI=1S/C50H37N/c1-34-20-26-40(27-21-34)51(41-28-22-35(2)23-29-41)42-30-24-37(25-31-42)49-45-18-10-11-19-46(45)50(48-33-39-15-7-6-14-38(39)32-47(48)49)44-17-9-8-16-43(44)36-12-4-3-5-13-36/h3-33H,1-2H3
• InChIKey: KUVREPFSEJFCQX-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.85
LogP ≤ 5	14.23
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 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline?

The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline (CID 168837037) is 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline.

What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline?

The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4cc5ccccc5cc34)cc2)cc1.

What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline?

The InChIKey is KUVREPFSEJFCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-34-20-26-40(27-21-34)51(41-28-22-35(2)23-29-41)42-30-24-37(25-31-42)49-45-18-10-11-19-46(45)50(48-33-39-15-7-6-14-38(39)32-47(48)49)44-17-9-8-16-43(44)36-12-4-3-5-13-36/h3-33H,1-2H3.

What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline?

4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline has a molecular weight of 651.85 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(4-methylphenyl)-N-[4-[12-(2-phenylphenyl)tetracen-5-yl]phenyl]aniline is sourced from PubChem (CID 168837037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).