3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole

C68H50N2Si2 — CID 164786985

IUPAC3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C68H50N2Si2/c1-47-34-38-61-57(42-47)58-43-48(2)35-39-62(58)70(61)52-37-41-64-60(46-52)59-44-50(49-20-7-3-8-21-49)36-40-63(59)69(64)51-22-19-29-56(45-51)72(55-27-13-6-14-28-55)67-32-17-15-30-65(67)71(53-23-9-4-10-24-53,54-25-11-5-12-26-54)66-31-16-18-33-68(66)72/h3-46H,1-2H3
InChIKeyKPAOHLZLLZDPBE-UHFFFAOYSA-N
MW951.33 g/mol
LogP11.23
Rot. Bonds7

About 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole

3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 164786985) has the molecular formula C68H50N2Si2 and a molecular weight of 951.33 g/mol. Its IUPAC name is 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID164786985
Molecular FormulaC68H50N2Si2
Molecular Weight951.33 g/mol
Exact Mass950.35
IUPAC Name3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1
InChIInChI=1S/C68H50N2Si2/c1-47-34-38-61-57(42-47)58-43-48(2)35-39-62(58)70(61)52-37-41-64-60(46-52)59-44-50(49-20-7-3-8-21-49)36-40-63(59)69(64)51-22-19-29-56(45-51)72(55-27-13-6-14-28-55)67-32-17-15-30-65(67)71(53-23-9-4-10-24-53,54-25-11-5-12-26-54)66-31-16-18-33-68(66)72/h3-46H,1-2H3
InChIKeyKPAOHLZLLZDPBE-UHFFFAOYSA-N
XLogP11.23
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.33
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
2,7,7-triphenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]-[1]benzosilolo[2,3-b]carbazole
CID 90337243
11-[3-(5-phenylbenzo[b][1]benzosilol-5-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 140873106
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
3-[3,6-bis(2-phenylpropan-2-yl)carbazol-9-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazole
CID 164787003
3-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 144639934
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole (CID 164786985) is 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1cccc([Si]2(c3ccccc3)c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1.
What is the InChIKey of 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is KPAOHLZLLZDPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2Si2/c1-47-34-38-61-57(42-47)58-43-48(2)35-39-62(58)70(61)52-37-41-64-60(46-52)59-44-50(49-20-7-3-8-21-49)36-40-63(59)69(64)51-22-19-29-56(45-51)72(55-27-13-6-14-28-55)67-32-17-15-30-65(67)71(53-23-9-4-10-24-53,54-25-11-5-12-26-54)66-31-16-18-33-68(66)72/h3-46H,1-2H3.
What are the key properties of 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole?
3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole has a molecular weight of 951.33 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[6-phenyl-9-[3-(5,10,10-triphenylsilanthren-5-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 164786985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).