[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

C57H44N2Si — CID 167382039

IUPAC[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C1C=CC=CC1N3c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C57H44N2Si/c1-57(2)50-30-15-12-27-45(50)47-34-36-54-55(56(47)57)48-29-14-17-32-52(48)59(54)40-21-18-26-43(37-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-35-53-49(38-44)46-28-13-16-31-51(46)58(53)39-19-6-3-7-20-39/h3-38,48,52H,1-2H3
InChIKeyJCRRNHKWVIYMDD-UHFFFAOYSA-N
MW785.08 g/mol
LogP11.20
Rot. Bonds6

About [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane

[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 167382039) has the molecular formula C57H44N2Si and a molecular weight of 785.08 g/mol. Its IUPAC name is [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

Compound Name[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
PubChem CID167382039
Molecular FormulaC57H44N2Si
Molecular Weight785.08 g/mol
Exact Mass784.33
IUPAC Name[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C1C=CC=CC1N3c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C57H44N2Si/c1-57(2)50-30-15-12-27-45(50)47-34-36-54-55(56(47)57)48-29-14-17-32-52(48)59(54)40-21-18-26-43(37-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-35-53-49(38-44)46-28-13-16-31-51(46)58(53)39-19-6-3-7-20-39/h3-38,48,52H,1-2H3
InChIKeyJCRRNHKWVIYMDD-UHFFFAOYSA-N
XLogP11.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.08
LogP ≤ 511.20
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

[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842348
(3-carbazol-9-ylphenyl)-[4-(14,14-dimethyl-9-azapentacyclo[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]-diphenylsilane
CID 140842311
[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842712
[3-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 165164081
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 174273797
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 159887872
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
[3-(14,14-dimethyl-9-azapentacyclo[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]-diphenyl-(9-phenylcarbazol-4-yl)silane
CID 140842761
12-phenyl-5-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 123926363

Frequently Asked Questions

What is the IUPAC name of [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?
The IUPAC name of [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane (CID 167382039) is [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane.
What is the SMILES notation for [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?
The canonical SMILES for [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is CC1(C)c2ccccc2-c2ccc3c(c21)C1C=CC=CC1N3c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?
The InChIKey is JCRRNHKWVIYMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N2Si/c1-57(2)50-30-15-12-27-45(50)47-34-36-54-55(56(47)57)48-29-14-17-32-52(48)59(54)40-21-18-26-43(37-40)60(41-22-8-4-9-23-41,42-24-10-5-11-25-42)44-33-35-53-49(38-44)46-28-13-16-31-51(46)58(53)39-19-6-3-7-20-39/h3-38,48,52H,1-2H3.
What are the key properties of [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane?
[3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 785.08 g/mol, XLogP of 11.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(12,12-dimethyl-4a,12c-dihydroindeno[1,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 167382039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).