[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane

C59H47NOSi — CID 88881201

IUPAC[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(Oc4ccccc4)cc3)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H47NOSi/c1-3-59(4-2)55-40-43(42-30-38-58-54(39-42)53-27-17-18-28-57(53)60(58)44-31-33-46(34-32-44)61-45-19-9-5-10-20-45)29-36-51(55)52-37-35-50(41-56(52)59)62(47-21-11-6-12-22-47,48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-41H,3-4H2,1-2H3
InChIKeyKKSQNXLOULAWBY-UHFFFAOYSA-N
MW814.12 g/mol
LogP12.71
Rot. Bonds10

About [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane

[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane (PubChem CID 88881201) has the molecular formula C59H47NOSi and a molecular weight of 814.12 g/mol. Its IUPAC name is [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
PubChem CID88881201
Molecular FormulaC59H47NOSi
Molecular Weight814.12 g/mol
Exact Mass813.34
IUPAC Name[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(Oc4ccccc4)cc3)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H47NOSi/c1-3-59(4-2)55-40-43(42-30-38-58-54(39-42)53-27-17-18-28-57(53)60(58)44-31-33-46(34-32-44)61-45-19-9-5-10-20-45)29-36-51(55)52-37-35-50(41-56(52)59)62(47-21-11-6-12-22-47,48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-41H,3-4H2,1-2H3
InChIKeyKKSQNXLOULAWBY-UHFFFAOYSA-N
XLogP12.71
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.12
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(9,9-diethyl-7-triphenylsilylfluoren-2-yl)carbazol-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 88881207
(4-methylphenyl)-[4-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-phenyl-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]silane
CID 123637096
triphenyl-[4-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]phenyl]silane
CID 140782739
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
[6-(4-carbazol-9-ylphenyl)-9-phenylcarbazol-2-yl]-triphenylsilane
CID 140778740
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
3-(3,5-diphenylphenyl)-9-(4-phenylphenyl)carbazole;(9-naphthalen-2-ylcarbazol-3-yl)-triphenylsilane;9-phenyl-3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 158565802
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-N-(4-phenoxyphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720542
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-triphenylsilylphenyl)carbazol-3-yl]phenyl]aniline
CID 90195275
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607

Frequently Asked Questions

What is the IUPAC name of [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane?
The IUPAC name of [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane (CID 88881201) is [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane.
What is the SMILES notation for [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane?
The canonical SMILES for [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane is CCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(Oc4ccccc4)cc3)ccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane?
The InChIKey is KKSQNXLOULAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47NOSi/c1-3-59(4-2)55-40-43(42-30-38-58-54(39-42)53-27-17-18-28-57(53)60(58)44-31-33-46(34-32-44)61-45-19-9-5-10-20-45)29-36-51(55)52-37-35-50(41-56(52)59)62(47-21-11-6-12-22-47,48-23-13-7-14-24-48)49-25-15-8-16-26-49/h5-41H,3-4H2,1-2H3.
What are the key properties of [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane?
[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane has a molecular weight of 814.12 g/mol, XLogP of 12.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane is sourced from PubChem (CID 88881201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).