[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane

C70H66O2Si2 — CID 167410358

IUPAC[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C(c2cc(C3CCCC3)c3ccc4c(C(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H66O2Si2/c1-73(2,3)47-33-29-45(30-34-47)65(57-25-15-23-55-49-21-11-13-27-63(49)71-69(55)57)61-41-59(43-17-7-8-18-43)51-38-40-54-62(42-60(44-19-9-10-20-44)52-37-39-53(61)67(51)68(52)54)66(46-31-35-48(36-32-46)74(4,5)6)58-26-16-24-56-50-22-12-14-28-64(50)72-70(56)58/h11-16,21-44,65-66H,7-10,17-20H2,1-6H3
InChIKeyMPNUHCRTWJCMSG-UHFFFAOYSA-N
MW995.47 g/mol
LogP19.15
Rot. Bonds10

About [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane

[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane (PubChem CID 167410358) has the molecular formula C70H66O2Si2 and a molecular weight of 995.47 g/mol. Its IUPAC name is [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane
PubChem CID167410358
Molecular FormulaC70H66O2Si2
Molecular Weight995.47 g/mol
Exact Mass994.46
IUPAC Name[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(C(c2cc(C3CCCC3)c3ccc4c(C(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C70H66O2Si2/c1-73(2,3)47-33-29-45(30-34-47)65(57-25-15-23-55-49-21-11-13-27-63(49)71-69(55)57)61-41-59(43-17-7-8-18-43)51-38-40-54-62(42-60(44-19-9-10-20-44)52-37-39-53(61)67(51)68(52)54)66(46-31-35-48(36-32-46)74(4,5)6)58-26-16-24-56-50-22-12-14-28-64(50)72-70(56)58/h11-16,21-44,65-66H,7-10,17-20H2,1-6H3
InChIKeyMPNUHCRTWJCMSG-UHFFFAOYSA-N
XLogP19.15
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.47
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,8-dicyclopentyl-1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(2,5-dimethylphenyl)pyrene-1,6-diamine
CID 121274506
3,8-dicyclohexyl-1-N,6-N-bis(3-dibenzofuran-4-ylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine
CID 118333169
3,8-dicyclohexyl-1-N,1-N,6-N,6-N-tetrakis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 58383868
[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium
CID 144918830
4-cyclopentyl-5-fluoro-1-(2-propan-2-yldibenzofuran-4-yl)isoquinoline
CID 170683602
6-N-dibenzofuran-4-yl-1-N-dibenzothiophen-4-yl-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 171595842
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
[4-(4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2(14),3(11),5,7,9,12,15,17,19(33),20(32),21,23(31),24,26,28-pentadecaen-17-yl)phenyl]-trimethylsilane
CID 140863260
1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)pyrene-1,6-diamine;1-N,6-N-bis(3-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(3,5-dimethylphenyl)pyrene-1,6-diamine
CID 157477279
4-[(2S)-butan-2-yl]dibenzofuran
CID 142504734
[4-[7-(4-dibenzofuran-4-ylphenyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293942
N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
CID 158759545

Frequently Asked Questions

What is the IUPAC name of [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane (CID 167410358) is [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(C(c2cc(C3CCCC3)c3ccc4c(C(c5ccc([Si](C)(C)C)cc5)c5cccc6c5oc5ccccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane?
The InChIKey is MPNUHCRTWJCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H66O2Si2/c1-73(2,3)47-33-29-45(30-34-47)65(57-25-15-23-55-49-21-11-13-27-63(49)71-69(55)57)61-41-59(43-17-7-8-18-43)51-38-40-54-62(42-60(44-19-9-10-20-44)52-37-39-53(61)67(51)68(52)54)66(46-31-35-48(36-32-46)74(4,5)6)58-26-16-24-56-50-22-12-14-28-64(50)72-70(56)58/h11-16,21-44,65-66H,7-10,17-20H2,1-6H3.
What are the key properties of [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane?
[4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane has a molecular weight of 995.47 g/mol, XLogP of 19.15, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dibenzofuran-4-yl-[3,8-dicyclopentyl-6-[dibenzofuran-4-yl-(4-trimethylsilylphenyl)methyl]pyren-1-yl]methyl]phenyl]-trimethylsilane is sourced from PubChem (CID 167410358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).