1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene

C207H128Si — CID 160979327

About 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene

1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene (PubChem CID 160979327) has the molecular formula C207H128Si and a molecular weight of 2643.39 g/mol. Its IUPAC name is 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene.

Molecular Properties

• Compound Name: 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene
• PubChem CID: 160979327
• Molecular Formula: C207H128Si
• Molecular Weight: 2643.39 g/mol
• Exact Mass: 2640.98
• IUPAC Name: 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene
• SMILES: C[Si](C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)c2ccccc12.c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc1c3c54)c1ccccc12
• InChI: InChI=1S/C72H42.C71H48Si.C64H38/c1-5-21-47-43(17-1)37-63(55-29-13-9-25-51(47)55)67-41-68(64-38-44-18-2-6-22-48(44)52-26-10-14-30-56(52)64)60-35-36-62-70(66-40-46-20-4-8-24-50(46)54-28-12-16-32-58(54)66)42-69(61-34-33-59(67)71(60)72(61)62)65-39-45-19-3-7-23-49(45)53-27-11-15-31-57(53)65;1-72(2,3)69-37-36-56(52-27-16-17-31-57(52)69)65-41-66(62-38-43-18-4-7-21-46(43)49-24-10-13-28-53(49)62)59-34-35-61-68(64-40-45-20-6-9-23-48(45)51-26-12-15-30-55(51)64)42-67(60-33-32-58(65)70(59)71(60)61)63-39-44-19-5-8-22-47(44)50-25-11-14-29-54(50)63;1-2-16-39(17-3-1)56-37-60(57-34-40-18-4-7-21-43(40)46-24-10-13-27-49(46)57)53-32-33-55-62(59-36-42-20-6-9-23-45(42)48-26-12-15-29-51(48)59)38-61(54-31-30-52(56)63(53)64(54)55)58-35-41-19-5-8-22-44(41)47-25-11-14-28-50(47)58/h1-42H;4-42H,1-3H3;1-38H
• InChIKey: SZHOAQXJVMRIHS-UHFFFAOYSA-N
• XLogP: 58.52
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2643.39
LogP ≤ 5	58.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene?

The IUPAC name of 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene (CID 160979327) is 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene.

What is the SMILES notation for 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene?

The canonical SMILES for 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene is C[Si](C)(C)c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)c2ccccc12.c1ccc(-c2cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc2c3c54)cc1.c1ccc2c(c1)cc(-c1cc(-c3cc4ccccc4c4ccccc34)c3ccc4c(-c5cc6ccccc6c6ccccc56)cc(-c5cc6ccccc6c6ccccc56)c5ccc1c3c54)c1ccccc12.

What is the InChIKey of 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene?

The InChIKey is SZHOAQXJVMRIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42.C71H48Si.C64H38/c1-5-21-47-43(17-1)37-63(55-29-13-9-25-51(47)55)67-41-68(64-38-44-18-2-6-22-48(44)52-26-10-14-30-56(52)64)60-35-36-62-70(66-40-46-20-4-8-24-50(46)54-28-12-16-32-58(54)66)42-69(61-34-33-59(67)71(60)72(61)62)65-39-45-19-3-7-23-49(45)53-27-11-15-31-57(53)65;1-72(2,3)69-37-36-56(52-27-16-17-31-57(52)69)65-41-66(62-38-43-18-4-7-21-46(43)49-24-10-13-28-53(49)62)59-34-35-61-68(64-40-45-20-6-9-23-48(45)51-26-12-15-30-55(51)64)42-67(60-33-32-58(65)70(59)71(60)61)63-39-44-19-5-8-22-47(44)50-25-11-14-29-54(50)63;1-2-16-39(17-3-1)56-37-60(57-34-40-18-4-7-21-43(40)46-24-10-13-27-49(46)57)53-32-33-55-62(59-36-42-20-6-9-23-45(42)48-26-12-15-29-51(48)59)38-61(54-31-30-52(56)63(53)64(54)55)58-35-41-19-5-8-22-44(41)47-25-11-14-28-50(47)58/h1-42H;4-42H,1-3H3;1-38H.

What are the key properties of 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene?

1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene has a molecular weight of 2643.39 g/mol, XLogP of 58.52, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6,8-tetra(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tri(phenanthren-9-yl)-8-phenylpyrene is sourced from PubChem (CID 160979327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).