1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine

C136H126N6Si5 — CID 160928353

About 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine

1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 160928353) has the molecular formula C136H126N6Si5 and a molecular weight of 1984.98 g/mol. Its IUPAC name is 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

• Compound Name: 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
• PubChem CID: 160928353
• Molecular Formula: C136H126N6Si5
• Molecular Weight: 1984.98 g/mol
• Exact Mass: 1982.89
• IUPAC Name: 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine
• SMILES: C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.Cc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc4ccc1c2c43
• InChI: InChI=1S/2C46H44N2Si2.C44H38N2Si/c1-49(2,3)39-21-13-19-37(31-39)47(35-15-9-7-10-16-35)43-29-25-33-24-28-42-44(30-26-34-23-27-41(43)45(33)46(34)42)48(36-17-11-8-12-18-36)38-20-14-22-40(32-38)50(4,5)6;1-49(2,3)39-25-21-37(22-26-39)47(35-13-9-7-10-14-35)43-31-19-33-18-30-42-44(32-20-34-17-29-41(43)45(33)46(34)42)48(36-15-11-8-12-16-36)38-23-27-40(28-24-38)50(4,5)6;1-31-15-11-12-20-38(31)45(34-16-7-5-8-17-34)39-29-25-32-24-28-37-40(30-26-33-23-27-36(39)43(32)44(33)37)46(35-18-9-6-10-19-35)41-21-13-14-22-42(41)47(2,3)4/h2*7-32H,1-6H3;5-30H,1-4H3
• InChIKey: SSXXFRLMVXNXIN-UHFFFAOYSA-N
• XLogP: 37.61
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1984.98
LogP ≤ 5	37.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The IUPAC name of 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine (CID 160928353) is 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine.

What is the SMILES notation for 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The canonical SMILES for 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine is C[Si](C)(C)c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1cccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5cccc([Si](C)(C)C)c5)ccc5ccc2c3c54)c1.Cc1ccccc1N(c1ccccc1)c1ccc2ccc3c(N(c4ccccc4)c4ccccc4[Si](C)(C)C)ccc4ccc1c2c43.

What is the InChIKey of 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine?

The InChIKey is SSXXFRLMVXNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H44N2Si2.C44H38N2Si/c1-49(2,3)39-21-13-19-37(31-39)47(35-15-9-7-10-16-35)43-29-25-33-24-28-42-44(30-26-34-23-27-41(43)45(33)46(34)42)48(36-17-11-8-12-18-36)38-20-14-22-40(32-38)50(4,5)6;1-49(2,3)39-25-21-37(22-26-39)47(35-13-9-7-10-14-35)43-31-19-33-18-30-42-44(32-20-34-17-29-41(43)45(33)46(34)42)48(36-15-11-8-12-16-36)38-23-27-40(28-24-38)50(4,5)6;1-31-15-11-12-20-38(31)45(34-16-7-5-8-17-34)39-29-25-32-24-28-37-40(30-26-33-23-27-36(39)43(32)44(33)37)46(35-18-9-6-10-19-35)41-21-13-14-22-42(41)47(2,3)4/h2*7-32H,1-6H3;5-30H,1-4H3.

What are the key properties of 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine?

1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 1984.98 g/mol, XLogP of 37.61, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,6-N-diphenyl-1-N,6-N-bis(3-trimethylsilylphenyl)pyrene-1,6-diamine;1-N,6-N-diphenyl-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine;6-N-(2-methylphenyl)-1-N,6-N-diphenyl-1-N-(2-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 160928353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).