1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane

C158H126F4Si2 — CID 160965334

IUPAC1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(F)cc5)c5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5cccc(-c6ccccc6)c5)c5ccc2c3c54)c2ccccc12.Cc1cc(C)cc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5ccc(F)cc5)c5ccc2c3c54)c1
InChIInChI=1S/C66H54Si2.C48H40F2.C44H32F2/c1-67(2,3)63-37-35-51(49-27-13-15-29-53(49)63)61-41-59(47-25-17-23-45(39-47)43-19-9-7-10-20-43)55-32-34-58-62(52-36-38-64(68(4,5)6)54-30-16-14-28-50(52)54)42-60(56-31-33-57(61)65(55)66(56)58)48-26-18-24-46(40-48)44-21-11-8-12-22-44;1-47(2,3)33-15-7-29(8-16-33)41-27-43(31-11-19-35(49)20-12-31)39-26-24-38-42(30-9-17-34(18-10-30)48(4,5)6)28-44(32-13-21-36(50)22-14-32)40-25-23-37(41)45(39)46(38)40;1-25-17-26(2)20-31(19-25)41-23-39(29-5-9-33(45)10-6-29)35-14-16-38-42(32-21-27(3)18-28(4)22-32)24-40(30-7-11-34(46)12-8-30)36-13-15-37(41)43(35)44(36)38/h7-42H,1-6H3;7-28H,1-6H3;5-24H,1-4H3
InChIKeySXNVMCLDAIRWQT-UHFFFAOYSA-N
MW2156.91 g/mol
LogP44.87
Rot. Bonds16

About 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane

1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane (PubChem CID 160965334) has the molecular formula C158H126F4Si2 and a molecular weight of 2156.91 g/mol. Its IUPAC name is 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
PubChem CID160965334
Molecular FormulaC158H126F4Si2
Molecular Weight2156.91 g/mol
Exact Mass2154.93
IUPAC Name1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(F)cc5)c5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5cccc(-c6ccccc6)c5)c5ccc2c3c54)c2ccccc12.Cc1cc(C)cc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5ccc(F)cc5)c5ccc2c3c54)c1
InChIInChI=1S/C66H54Si2.C48H40F2.C44H32F2/c1-67(2,3)63-37-35-51(49-27-13-15-29-53(49)63)61-41-59(47-25-17-23-45(39-47)43-19-9-7-10-20-43)55-32-34-58-62(52-36-38-64(68(4,5)6)54-30-16-14-28-50(52)54)42-60(56-31-33-57(61)65(55)66(56)58)48-26-18-24-46(40-48)44-21-11-8-12-22-44;1-47(2,3)33-15-7-29(8-16-33)41-27-43(31-11-19-35(49)20-12-31)39-26-24-38-42(30-9-17-34(18-10-30)48(4,5)6)28-44(32-13-21-36(50)22-14-32)40-25-23-37(41)45(39)46(38)40;1-25-17-26(2)20-31(19-25)41-23-39(29-5-9-33(45)10-6-29)35-14-16-38-42(32-21-27(3)18-28(4)22-32)24-40(30-7-11-34(46)12-8-30)36-13-15-37(41)43(35)44(36)38/h7-42H,1-6H3;7-28H,1-6H3;5-24H,1-4H3
InChIKeySXNVMCLDAIRWQT-UHFFFAOYSA-N
XLogP44.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.91
LogP ≤ 544.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane with MolForge

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Related Compounds

[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391126
1-phenyl-3,6,8-tris(2-phenylphenyl)pyrene;trimethyl-[4-[3-phenyl-6,8-bis(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]silane;1,3,6-tris(3,5-diphenylphenyl)-8-phenylpyrene
CID 159096469
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
[4-[3,8-bis(4-naphthalen-2-ylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391271
[4-[3,8-bis(4-phenylnaphthalen-1-yl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane;1,6-dinaphthalen-1-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene;1,6-di(phenanthren-9-yl)-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 162208295
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
1-(4-tert-butylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;1-(4-methylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]phenyl]silane
CID 161427818
1-phenyl-3,6,8-tris(3-phenylphenyl)pyrene
CID 59391073
6-(4-fluorophenyl)-1,3-diphenylpyrene
CID 90336828
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(3-phenylphenyl)pyrene;1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(4-phenylphenyl)pyrene;1,6-dinaphthalen-2-yl-3,8-bis(4-phenylnaphthalen-1-yl)pyrene
CID 157103294
[3-[3,6-bis[3,5-bis(trimethylsilyl)phenyl]-8-(4-phenylnaphthalen-1-yl)pyren-1-yl]-5-trimethylsilylphenyl]-trimethylsilane;trimethyl-[2-[3-(4-phenylnaphthalen-1-yl)-6,8-bis(2-trimethylsilylphenyl)pyren-1-yl]phenyl]silane;trimethyl-[3-[3-(4-phenylnaphthalen-1-yl)-6,8-bis(3-trimethylsilylphenyl)pyren-1-yl]phenyl]silane
CID 158932546
2,7-bis(3,5-dimethylphenyl)-9,9-dimethylfluorene;1,3,6,8-tetrakis(4-tert-butylphenyl)pyrene
CID 160842443

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?
The IUPAC name of 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane (CID 160965334) is 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?
The canonical SMILES for 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane is CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5ccc(C(C)(C)C)cc5)cc(-c5ccc(F)cc5)c5ccc2c3c54)cc1.C[Si](C)(C)c1ccc(-c2cc(-c3cccc(-c4ccccc4)c3)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5cccc(-c6ccccc6)c5)c5ccc2c3c54)c2ccccc12.Cc1cc(C)cc(-c2cc(-c3ccc(F)cc3)c3ccc4c(-c5cc(C)cc(C)c5)cc(-c5ccc(F)cc5)c5ccc2c3c54)c1.
What is the InChIKey of 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?
The InChIKey is SXNVMCLDAIRWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54Si2.C48H40F2.C44H32F2/c1-67(2,3)63-37-35-51(49-27-13-15-29-53(49)63)61-41-59(47-25-17-23-45(39-47)43-19-9-7-10-20-43)55-32-34-58-62(52-36-38-64(68(4,5)6)54-30-16-14-28-50(52)54)42-60(56-31-33-57(61)65(55)66(56)58)48-26-18-24-46(40-48)44-21-11-8-12-22-44;1-47(2,3)33-15-7-29(8-16-33)41-27-43(31-11-19-35(49)20-12-31)39-26-24-38-42(30-9-17-34(18-10-30)48(4,5)6)28-44(32-13-21-36(50)22-14-32)40-25-23-37(41)45(39)46(38)40;1-25-17-26(2)20-31(19-25)41-23-39(29-5-9-33(45)10-6-29)35-14-16-38-42(32-21-27(3)18-28(4)22-32)24-40(30-7-11-34(46)12-8-30)36-13-15-37(41)43(35)44(36)38/h7-42H,1-6H3;7-28H,1-6H3;5-24H,1-4H3.
What are the key properties of 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane has a molecular weight of 2156.91 g/mol, XLogP of 44.87, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-tert-butylphenyl)-3,8-bis(4-fluorophenyl)pyrene;1,6-bis(3,5-dimethylphenyl)-3,8-bis(4-fluorophenyl)pyrene;[4-[3,8-bis(3-phenylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 160965334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).