1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine

C164H128N4O4Si4 — CID 159696101

IUPAC1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine
SMILESC[SiH](C)Cc1cccc2c1oc1c(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.C[SiH](C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6-c6ccccc6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/2C82H64N2O2Si2/c1-87(2)52-61-30-18-31-62-63-32-19-35-74(80(63)85-79(61)62)83(72-48-42-59(53-22-10-6-11-23-53)50-68(72)55-26-14-8-15-27-55)70-46-40-57-39-45-67-71(47-41-58-38-44-66(70)77(57)78(58)67)84(75-36-20-33-64-65-34-21-37-76(88(3,4)5)82(65)86-81(64)75)73-49-43-60(54-24-12-7-13-25-54)51-69(73)56-28-16-9-17-29-56;1-87(2)52-59-30-18-31-66-67-32-19-35-74(80(67)85-79(59)66)83(64-48-60(53-22-10-6-11-23-53)46-61(49-64)54-24-12-7-13-25-54)72-44-40-57-39-43-71-73(45-41-58-38-42-70(72)77(57)78(58)71)84(75-36-20-33-68-69-34-21-37-76(88(3,4)5)82(69)86-81(68)75)65-50-62(55-26-14-8-15-27-55)47-63(51-65)56-28-16-9-17-29-56/h2*6-51,87H,52H2,1-5H3
InChIKeyMXAJODKSPWBJJZ-UHFFFAOYSA-N
MW2331.20 g/mol
LogP46.21
Rot. Bonds26

About 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine

1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine (PubChem CID 159696101) has the molecular formula C164H128N4O4Si4 and a molecular weight of 2331.20 g/mol. Its IUPAC name is 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine
PubChem CID159696101
Molecular FormulaC164H128N4O4Si4
Molecular Weight2331.20 g/mol
Exact Mass2328.90
IUPAC Name1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine
SMILESC[SiH](C)Cc1cccc2c1oc1c(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.C[SiH](C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6-c6ccccc6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12
InChIInChI=1S/2C82H64N2O2Si2/c1-87(2)52-61-30-18-31-62-63-32-19-35-74(80(63)85-79(61)62)83(72-48-42-59(53-22-10-6-11-23-53)50-68(72)55-26-14-8-15-27-55)70-46-40-57-39-45-67-71(47-41-58-38-44-66(70)77(57)78(58)67)84(75-36-20-33-64-65-34-21-37-76(88(3,4)5)82(65)86-81(64)75)73-49-43-60(54-24-12-7-13-25-54)51-69(73)56-28-16-9-17-29-56;1-87(2)52-59-30-18-31-66-67-32-19-35-74(80(67)85-79(59)66)83(64-48-60(53-22-10-6-11-23-53)46-61(49-64)54-24-12-7-13-25-54)72-44-40-57-39-43-71-73(45-41-58-38-42-70(72)77(57)78(58)71)84(75-36-20-33-68-69-34-21-37-76(88(3,4)5)82(69)86-81(68)75)65-50-62(55-26-14-8-15-27-55)47-63(51-65)56-28-16-9-17-29-56/h2*6-51,87H,52H2,1-5H3
InChIKeyMXAJODKSPWBJJZ-UHFFFAOYSA-N
XLogP46.21
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002331.20
LogP ≤ 546.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine?
The IUPAC name of 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine (CID 159696101) is 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine?
The canonical SMILES for 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine is C[SiH](C)Cc1cccc2c1oc1c(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4ccc5c(N(c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.C[SiH](C)Cc1cccc2c1oc1c(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3ccc4ccc5c(N(c6ccc(-c7ccccc7)cc6-c6ccccc6)c6cccc7c6oc6c([Si](C)(C)C)cccc67)ccc6ccc3c4c65)cccc12.
What is the InChIKey of 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine?
The InChIKey is MXAJODKSPWBJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H64N2O2Si2/c1-87(2)52-61-30-18-31-62-63-32-19-35-74(80(63)85-79(61)62)83(72-48-42-59(53-22-10-6-11-23-53)50-68(72)55-26-14-8-15-27-55)70-46-40-57-39-45-67-71(47-41-58-38-44-66(70)77(57)78(58)67)84(75-36-20-33-64-65-34-21-37-76(88(3,4)5)82(65)86-81(64)75)73-49-43-60(54-24-12-7-13-25-54)51-69(73)56-28-16-9-17-29-56;1-87(2)52-59-30-18-31-66-67-32-19-35-74(80(67)85-79(59)66)83(64-48-60(53-22-10-6-11-23-53)46-61(49-64)54-24-12-7-13-25-54)72-44-40-57-39-43-71-73(45-41-58-38-42-70(72)77(57)78(58)71)84(75-36-20-33-68-69-34-21-37-76(88(3,4)5)82(69)86-81(68)75)65-50-62(55-26-14-8-15-27-55)47-63(51-65)56-28-16-9-17-29-56/h2*6-51,87H,52H2,1-5H3.
What are the key properties of 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine?
1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine has a molecular weight of 2331.20 g/mol, XLogP of 46.21, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(2,4-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N-[6-(dimethylsilylmethyl)dibenzofuran-4-yl]-1-N,6-N-bis(3,5-diphenylphenyl)-6-N-(6-trimethylsilyldibenzofuran-4-yl)pyrene-1,6-diamine is sourced from PubChem (CID 159696101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).