[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

C218H146Si2 — CID 162208295

IUPAC[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
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c54)c2ccccc12.c1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cccc7ccccc67)c6ccc3c4c65)c3ccccc23)cc1
InChIInChI=1S/C76H46.C74H58Si2.C68H42/c1-3-19-47(20-4-1)53-35-37-63(59-31-15-11-29-57(53)59)71-45-73(69-43-49-23-7-9-25-51(49)55-27-13-17-33-61(55)69)67-42-40-66-72(64-38-36-54(48-21-5-2-6-22-48)58-30-12-16-32-60(58)64)46-74(68-41-39-65(71)75(67)76(66)68)70-44-50-24-8-10-26-52(50)56-28-14-18-34-62(56)70;1-75(2,3)71-43-41-59(55-29-17-19-31-61(55)71)69-45-67(57-35-33-49(47-21-9-7-10-22-47)51-25-13-15-27-53(51)57)63-38-40-66-70(60-42-44-72(76(4,5)6)62-32-20-18-30-56(60)62)46-68(64-37-39-65(69)73(63)74(64)66)58-36-34-50(48-23-11-8-12-24-48)52-26-14-16-28-54(52)58;1-3-17-43(18-4-1)49-33-35-57(55-29-13-11-27-51(49)55)65-41-63(53-31-15-23-45-21-7-9-25-47(45)53)59-38-40-62-66(58-36-34-50(44-19-5-2-6-20-44)52-28-12-14-30-56(52)58)42-64(60-37-39-61(65)67(59)68(60)62)54-32-16-24-46-22-8-10-26-48(46)54/h1-46H;7-46H,1-6H3;1-42H
InChIKeyZSMMZFYTTSYJFE-UHFFFAOYSA-N
MW2821.74 g/mol
LogP60.99
Rot. Bonds20

About [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

[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 (PubChem CID 162208295) has the molecular formula C218H146Si2 and a molecular weight of 2821.74 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID162208295
Molecular FormulaC218H146Si2
Molecular Weight2821.74 g/mol
Exact Mass2819.10
IUPAC Name[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
SMILESC[Si](C)(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c54)c2ccccc12.c1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cccc7ccccc67)c6ccc3c4c65)c3ccccc23)cc1
InChIInChI=1S/C76H46.C74H58Si2.C68H42/c1-3-19-47(20-4-1)53-35-37-63(59-31-15-11-29-57(53)59)71-45-73(69-43-49-23-7-9-25-51(49)55-27-13-17-33-61(55)69)67-42-40-66-72(64-38-36-54(48-21-5-2-6-22-48)58-30-12-16-32-60(58)64)46-74(68-41-39-65(71)75(67)76(66)68)70-44-50-24-8-10-26-52(50)56-28-14-18-34-62(56)70;1-75(2,3)71-43-41-59(55-29-17-19-31-61(55)71)69-45-67(57-35-33-49(47-21-9-7-10-22-47)51-25-13-15-27-53(51)57)63-38-40-66-70(60-42-44-72(76(4,5)6)62-32-20-18-30-56(60)62)46-68(64-37-39-65(69)73(63)74(64)66)58-36-34-50(48-23-11-8-12-24-48)52-26-14-16-28-54(52)58;1-3-17-43(18-4-1)49-33-35-57(55-29-13-11-27-51(49)55)65-41-63(53-31-15-23-45-21-7-9-25-47(45)53)59-38-40-62-66(58-36-34-50(44-19-5-2-6-20-44)52-28-12-14-30-56(52)58)42-64(60-37-39-61(65)67(59)68(60)62)54-32-16-24-46-22-8-10-26-48(46)54/h1-46H;7-46H,1-6H3;1-42H
InChIKeyZSMMZFYTTSYJFE-UHFFFAOYSA-N
XLogP60.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002821.74
LogP ≤ 560.99
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 [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 with MolForge

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Related Compounds

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
1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 59391009
1-naphthalen-1-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-naphthalen-2-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene;1-phenanthren-9-yl-3,6,8-tris(4-phenylnaphthalen-1-yl)pyrene
CID 160835629
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
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
1,6-bis(10-naphthalen-1-ylphenanthren-3-yl)-3,8-diphenylpyrene
CID 170778790
[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391126
[4-[3,8-bis(4-naphthalen-2-ylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
CID 59391271
3-phenanthren-9-yl-1,6-bis[2-(4-phenylphenyl)phenyl]pyrene
CID 123229055
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
1,6-dinaphthalen-1-yl-3-naphthalen-2-ylpyrene;1,6-dinaphthalen-1-yl-3-phenanthren-9-ylpyrene;1,6-dinaphthalen-1-yl-3-(2-phenylphenyl)pyrene;1,6-dinaphthalen-1-yl-3-(3-phenylphenyl)pyrene;1,6-diphenyl-3-(4-phenylphenyl)pyrene
CID 159825914
1,6-diphenyl-3-(2-phenylphenyl)pyrene;1,6-diphenyl-3-(3-phenylphenyl)pyrene;3-naphthalen-1-yl-1,6-diphenylpyrene;3-naphthalen-2-yl-1,6-diphenylpyrene;3-phenanthren-9-yl-1,6-diphenylpyrene
CID 160969963

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C[Si](C)(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c4ccccc34)c3ccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cc(-c5ccc(-c6ccccc6)c6ccccc56)c5ccc2c3c54)c2ccccc12.c1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cc7ccccc7c7ccccc67)c6ccc3c4c56)c3ccccc23)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)c4ccc5c(-c6ccc(-c7ccccc7)c7ccccc67)cc(-c6cccc7ccccc67)c6ccc3c4c65)c3ccccc23)cc1.
What is the InChIKey of [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?
The InChIKey is ZSMMZFYTTSYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46.C74H58Si2.C68H42/c1-3-19-47(20-4-1)53-35-37-63(59-31-15-11-29-57(53)59)71-45-73(69-43-49-23-7-9-25-51(49)55-27-13-17-33-61(55)69)67-42-40-66-72(64-38-36-54(48-21-5-2-6-22-48)58-30-12-16-32-60(58)64)46-74(68-41-39-65(71)75(67)76(66)68)70-44-50-24-8-10-26-52(50)56-28-14-18-34-62(56)70;1-75(2,3)71-43-41-59(55-29-17-19-31-61(55)71)69-45-67(57-35-33-49(47-21-9-7-10-22-47)51-25-13-15-27-53(51)57)63-38-40-66-70(60-42-44-72(76(4,5)6)62-32-20-18-30-56(60)62)46-68(64-37-39-65(69)73(63)74(64)66)58-36-34-50(48-23-11-8-12-24-48)52-26-14-16-28-54(52)58;1-3-17-43(18-4-1)49-33-35-57(55-29-13-11-27-51(49)55)65-41-63(53-31-15-23-45-21-7-9-25-47(45)53)59-38-40-62-66(58-36-34-50(44-19-5-2-6-20-44)52-28-12-14-30-56(52)58)42-64(60-37-39-61(65)67(59)68(60)62)54-32-16-24-46-22-8-10-26-48(46)54/h1-46H;7-46H,1-6H3;1-42H.
What are the key properties of [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?
[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 has a molecular weight of 2821.74 g/mol, XLogP of 60.99, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 162208295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).