4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline

C65H57Ge2N — CID 143567000

About 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline

4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline (PubChem CID 143567000) has the molecular formula C65H57Ge2N and a molecular weight of 997.40 g/mol. Its IUPAC name is 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline
• PubChem CID: 143567000
• Molecular Formula: C65H57Ge2N
• Molecular Weight: 997.40 g/mol
• Exact Mass: 999.29
• IUPAC Name: 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline
• SMILES: Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccc([Ge](C)(C)C)cc6)c6ccc([Ge](C)(C)C)cc6)cc5)c5ccccc45)c3)c3ccccc23)cc1
• InChI: InChI=1S/C65H57Ge2N/c1-44-27-29-45(30-28-44)62-54-19-8-12-23-58(54)64(59-24-13-9-20-55(59)62)47-17-16-18-48(43-47)65-60-25-14-10-21-56(60)63(57-22-11-15-26-61(57)65)46-31-37-51(38-32-46)68(52-39-33-49(34-40-52)66(2,3)4)53-41-35-50(36-42-53)67(5,6)7/h8-43H,1-7H3
• InChIKey: NLMCJBGQZMOLOD-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.40
LogP ≤ 5	17.84
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-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline?

The IUPAC name of 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline (CID 143567000) is 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline.

What is the SMILES notation for 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline?

The canonical SMILES for 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline is Cc1ccc(-c2c3ccccc3c(-c3cccc(-c4c5ccccc5c(-c5ccc(N(c6ccc([Ge](C)(C)C)cc6)c6ccc([Ge](C)(C)C)cc6)cc5)c5ccccc45)c3)c3ccccc23)cc1.

What is the InChIKey of 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline?

The InChIKey is NLMCJBGQZMOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H57Ge2N/c1-44-27-29-45(30-28-44)62-54-19-8-12-23-58(54)64(59-24-13-9-20-55(59)62)47-17-16-18-48(43-47)65-60-25-14-10-21-56(60)63(57-22-11-15-26-61(57)65)46-31-37-51(38-32-46)68(52-39-33-49(34-40-52)66(2,3)4)53-41-35-50(36-42-53)67(5,6)7/h8-43H,1-7H3.

What are the key properties of 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline?

4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline has a molecular weight of 997.40 g/mol, XLogP of 17.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[10-[3-[10-(4-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]-N,N-bis(4-trimethylgermylphenyl)aniline is sourced from PubChem (CID 143567000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).