2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole

C70H58Si — CID 143539864

IUPAC2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole
SMILESC[Si]1(C)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2c(-c3ccc(C4=C(C5=CC=CCC5)C(C5=CCCC=C5)=CCC4)cc3)c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C70H58Si/c1-71(2)48-63(50-26-11-4-12-27-50)67(55-34-19-8-20-35-55)70(71)58-46-44-57(45-47-58)69-66(54-32-17-7-18-33-54)62-37-22-21-36-61(62)65(53-30-15-6-16-31-53)68(69)56-42-40-51(41-43-56)60-39-23-38-59(49-24-9-3-10-25-49)64(60)52-28-13-5-14-29-52/h4-9,11-13,15-22,24-28,30-38,40-48H,3,10,14,23,29,39H2,1-2H3
InChIKeyMDPPEVOMXHSENJ-UHFFFAOYSA-N
MW927.32 g/mol
LogP19.33
Rot. Bonds10

About 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole

2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole (PubChem CID 143539864) has the molecular formula C70H58Si and a molecular weight of 927.32 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole.

Molecular Properties

Compound Name2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole
PubChem CID143539864
Molecular FormulaC70H58Si
Molecular Weight927.32 g/mol
Exact Mass926.43
IUPAC Name2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole
SMILESC[Si]1(C)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2c(-c3ccc(C4=C(C5=CC=CCC5)C(C5=CCCC=C5)=CCC4)cc3)c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C70H58Si/c1-71(2)48-63(50-26-11-4-12-27-50)67(55-34-19-8-20-35-55)70(71)58-46-44-57(45-47-58)69-66(54-32-17-7-18-33-54)62-37-22-21-36-61(62)65(53-30-15-6-16-31-53)68(69)56-42-40-51(41-43-56)60-39-23-38-59(49-24-9-3-10-25-49)64(60)52-28-13-5-14-29-52/h4-9,11-13,15-22,24-28,30-38,40-48H,3,10,14,23,29,39H2,1-2H3
InChIKeyMDPPEVOMXHSENJ-UHFFFAOYSA-N
XLogP19.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.32
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole with MolForge

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
CID 174079697
2-cyclohexa-1,3-dien-1-yl-5-phenyl-1λ3-iodacyclohexa-1,3,5-triene
CID 163982380
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-[4-[3,4-bis(4-methoxyphenyl)-2,5,6-triphenylphenyl]phenyl]-3-cyclohexa-1,5-dien-1-yl-4,5-bis(4-methoxyphenyl)-2,6-diphenylbenzene
CID 142382583
N-[2-cyclohexa-1,3-dien-1-yl-4-[4-(4-cyclohexa-1,5-dien-1-yl-N-(4-phenylphenyl)anilino)-3-phenylphenyl]phenyl]-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-phenylcyclohexa-1,3-dien-5-yn-1-amine
CID 170244953
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
2-phenylcycloocta-1,3,5-triene
CID 123254366
4-[3-[2-cyclohexa-1,3-dien-1-yl-10-(3-pyridin-4-ylcyclohexa-1,3-dien-1-yl)anthracen-9-yl]phenyl]pyridine
CID 170005361
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
6-[10-(4-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 163460891

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole?
The IUPAC name of 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole (CID 143539864) is 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole.
What is the SMILES notation for 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole?
The canonical SMILES for 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole is C[Si]1(C)C=C(c2ccccc2)C(c2ccccc2)=C1c1ccc(-c2c(-c3ccc(C4=C(C5=CC=CCC5)C(C5=CCCC=C5)=CCC4)cc3)c(-c3ccccc3)c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole?
The InChIKey is MDPPEVOMXHSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58Si/c1-71(2)48-63(50-26-11-4-12-27-50)67(55-34-19-8-20-35-55)70(71)58-46-44-57(45-47-58)69-66(54-32-17-7-18-33-54)62-37-22-21-36-61(62)65(53-30-15-6-16-31-53)68(69)56-42-40-51(41-43-56)60-39-23-38-59(49-24-9-3-10-25-49)64(60)52-28-13-5-14-29-52/h4-9,11-13,15-22,24-28,30-38,40-48H,3,10,14,23,29,39H2,1-2H3.
What are the key properties of 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole?
2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole has a molecular weight of 927.32 g/mol, XLogP of 19.33, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-1,4-diphenylnaphthalen-2-yl]phenyl]-1,1-dimethyl-3,4-diphenylsilole is sourced from PubChem (CID 143539864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).