1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine

C116H94N4O4Si4 — CID 153297607

IUPAC1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc([Si](C)(C)CC[Si](C)(C)c6ccc(N(c7ccc8ccc9c(N(c%10ccc([Si](C)(C)C)cc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C116H94N4O4Si4/c1-125(2,3)81-55-47-77(48-56-81)117(101-31-19-27-89-85-23-11-15-35-105(85)121-113(89)101)97-67-43-73-41-65-95-99(69-45-75-39-63-93(97)109(73)111(75)95)119(103-33-21-29-91-87-25-13-17-37-107(87)123-115(91)103)79-51-59-83(60-52-79)127(7,8)71-72-128(9,10)84-61-53-80(54-62-84)120(104-34-22-30-92-88-26-14-18-38-108(88)124-116(92)104)100-70-46-76-40-64-94-98(68-44-74-42-66-96(100)112(76)110(74)94)118(78-49-57-82(58-50-78)126(4,5)6)102-32-20-28-90-86-24-12-16-36-106(86)122-114(90)102/h11-70H,71-72H2,1-10H3
InChIKeyBXFLUFAACBZQLM-UHFFFAOYSA-N
MW1720.40 g/mol
LogP32.58
Rot. Bonds19

About 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine

1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine (PubChem CID 153297607) has the molecular formula C116H94N4O4Si4 and a molecular weight of 1720.40 g/mol. Its IUPAC name is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine.

Molecular Properties

Compound Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
PubChem CID153297607
Molecular FormulaC116H94N4O4Si4
Molecular Weight1720.40 g/mol
Exact Mass1718.64
IUPAC Name1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
SMILESC[Si](C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc([Si](C)(C)CC[Si](C)(C)c6ccc(N(c7ccc8ccc9c(N(c%10ccc([Si](C)(C)C)cc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C116H94N4O4Si4/c1-125(2,3)81-55-47-77(48-56-81)117(101-31-19-27-89-85-23-11-15-35-105(85)121-113(89)101)97-67-43-73-41-65-95-99(69-45-75-39-63-93(97)109(73)111(75)95)119(103-33-21-29-91-87-25-13-17-37-107(87)123-115(91)103)79-51-59-83(60-52-79)127(7,8)71-72-128(9,10)84-61-53-80(54-62-84)120(104-34-22-30-92-88-26-14-18-38-108(88)124-116(92)104)100-70-46-76-40-64-94-98(68-44-74-42-66-96(100)112(76)110(74)94)118(78-49-57-82(58-50-78)126(4,5)6)102-32-20-28-90-86-24-12-16-36-106(86)122-114(90)102/h11-70H,71-72H2,1-10H3
InChIKeyBXFLUFAACBZQLM-UHFFFAOYSA-N
XLogP32.58
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001720.40
LogP ≤ 532.58
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-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine with MolForge

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Related Compounds

N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918751
N-(12-thiapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine
CID 90263753
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[2-[4-[[[4-[2-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-2-phenylanilino)pyren-1-yl]amino]phenyl]phenyl]-dimethylsilyl]methyl-methylsilyl]phenyl]phenyl]-6-N-(2-phenylphenyl)pyrene-1,6-diamine
CID 165094835
N-(6-tert-butylpyren-1-yl)-N-dibenzofuran-4-yldibenzofuran-4-amine
CID 176881413
1-N,1-N,6-N,6-N-tetra(dibenzofuran-4-yl)-3-propan-2-ylpyrene-1,6-diamine
CID 87618177
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 146822139
N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 163956670
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-di(dibenzofuran-4-yl)-6-N-(6-methylcyclohexa-2,4-dien-1-yl)-1-N-phenylpyrene-1,6-diamine
CID 131993920

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The IUPAC name of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine (CID 153297607) is 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine.
What is the SMILES notation for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The canonical SMILES for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine is C[Si](C)(C)c1ccc(N(c2ccc3ccc4c(N(c5ccc([Si](C)(C)CC[Si](C)(C)c6ccc(N(c7ccc8ccc9c(N(c%10ccc([Si](C)(C)C)cc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine?
The InChIKey is BXFLUFAACBZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H94N4O4Si4/c1-125(2,3)81-55-47-77(48-56-81)117(101-31-19-27-89-85-23-11-15-35-105(85)121-113(89)101)97-67-43-73-41-65-95-99(69-45-75-39-63-93(97)109(73)111(75)95)119(103-33-21-29-91-87-25-13-17-37-107(87)123-115(91)103)79-51-59-83(60-52-79)127(7,8)71-72-128(9,10)84-61-53-80(54-62-84)120(104-34-22-30-92-88-26-14-18-38-108(88)124-116(92)104)100-70-46-76-40-64-94-98(68-44-74-42-66-96(100)112(76)110(74)94)118(78-49-57-82(58-50-78)126(4,5)6)102-32-20-28-90-86-24-12-16-36-106(86)122-114(90)102/h11-70H,71-72H2,1-10H3.
What are the key properties of 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine?
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine has a molecular weight of 1720.40 g/mol, XLogP of 32.58, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine is sourced from PubChem (CID 153297607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).