6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol

C116H104Ge2N4O20Si2 — CID 158607233

About 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol

6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol (PubChem CID 158607233) has the molecular formula C116H104Ge2N4O20Si2 and a molecular weight of 2075.51 g/mol. Its IUPAC name is 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
• PubChem CID: 158607233
• Molecular Formula: C116H104Ge2N4O20Si2
• Molecular Weight: 2075.51 g/mol
• Exact Mass: 2076.52
• IUPAC Name: 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol
• SMILES: C[Ge](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2ccc3ccc4c(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5ccc([Ge](C)(C)C)cc5)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2ccc3ccc4c(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1
• InChI: InChI=1S/C58H52Ge2N2O10.C58H52N2O10Si2/c1-59(2,3)35-15-23-39(24-16-35)61(37-19-7-33(8-20-37)47-49(63)53(67)57(71)54(68)50(47)64)43-29-13-31-12-28-42-44(30-14-32-11-27-41(43)45(31)46(32)42)62(40-25-17-36(18-26-40)60(4,5)6)38-21-9-34(10-22-38)48-51(65)55(69)58(72)56(70)52(48)66;1-71(2,3)39-23-19-37(20-24-39)59(35-15-7-33(8-16-35)47-49(61)53(65)57(69)54(66)50(47)62)43-29-13-31-12-28-42-44(30-14-32-11-27-41(43)45(31)46(32)42)60(38-21-25-40(26-22-38)72(4,5)6)36-17-9-34(10-18-36)48-51(63)55(67)58(70)56(68)52(48)64/h7-30,63-72H,1-6H3;7-30,61-70H,1-6H3
• InChIKey: HWJPLASRUBAYMC-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 417.56 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.51
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol (CID 158607233) is 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol is C[Ge](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2ccc3ccc4c(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5ccc([Ge](C)(C)C)cc5)ccc5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(N(c2ccc(-c3c(O)c(O)c(O)c(O)c3O)cc2)c2ccc3ccc4c(N(c5ccc(-c6c(O)c(O)c(O)c(O)c6O)cc5)c5ccc([Si](C)(C)C)cc5)ccc5ccc2c3c54)cc1.

What is the InChIKey of 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?

The InChIKey is HWJPLASRUBAYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H52Ge2N2O10.C58H52N2O10Si2/c1-59(2,3)35-15-23-39(24-16-35)61(37-19-7-33(8-20-37)47-49(63)53(67)57(71)54(68)50(47)64)43-29-13-31-12-28-42-44(30-14-32-11-27-41(43)45(31)46(32)42)62(40-25-17-36(18-26-40)60(4,5)6)38-21-9-34(10-22-38)48-51(65)55(69)58(72)56(70)52(48)66;1-71(2,3)39-23-19-37(20-24-39)59(35-15-7-33(8-16-35)47-49(61)53(65)57(69)54(66)50(47)62)43-29-13-31-12-28-42-44(30-14-32-11-27-41(43)45(31)46(32)42)60(38-21-25-40(26-22-38)72(4,5)6)36-17-9-34(10-18-36)48-51(63)55(67)58(70)56(68)52(48)64/h7-30,63-72H,1-6H3;7-30,61-70H,1-6H3.

What are the key properties of 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol?

6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol has a molecular weight of 2075.51 g/mol, XLogP of 26.01, 20 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylgermylphenyl)anilino]pyren-1-yl]-4-trimethylgermylanilino)phenyl]benzene-1,2,3,4,5-pentol;6-[4-(N-[6-[4-(2,3,4,5,6-pentahydroxyphenyl)-N-(4-trimethylsilylphenyl)anilino]pyren-1-yl]-4-trimethylsilylanilino)phenyl]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 158607233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).