trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate

C165H105Li3N17O3+3 — CID 157222360

IUPACtrilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8[O-])[nH+]c7c6n5)c4)c3c21.[Li+].[Li+].[Li+].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cccc76)n5)c4)nc3c2[nH+]1.[O-]c1ccccc1-c1ccc2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)n4)nc3c2[nH+]1
InChIInChI=1S/C63H39N7O.C57H35N7O.C45H31N3O.3Li/c71-57-28-12-9-22-49(57)52-36-33-40-30-29-39-32-35-51(64-59(39)60(40)65-52)43-17-13-18-44(37-43)62-66-61(41-15-3-1-4-16-41)67-63(68-62)70-54-26-11-8-23-50(54)58-46(24-14-27-55(58)70)42-31-34-48-47-21-7-10-25-53(47)69(56(48)38-42)45-19-5-2-6-20-45;65-52-24-11-7-20-44(52)46-30-27-35-25-26-36-28-31-47(59-54(36)53(35)58-46)57-61-55(37-13-2-1-3-14-37)60-56(62-57)38-15-12-16-39(33-38)63-50-23-10-6-19-43(50)45-34-40(29-32-51(45)63)64-48-21-8-4-17-41(48)42-18-5-9-22-49(42)64;1-45(2)36-15-6-3-12-31(36)33-22-23-34-32-13-4-7-16-39(32)48(44(34)41(33)45)30-11-9-10-29(26-30)37-24-20-27-18-19-28-21-25-38(47-43(28)42(27)46-37)35-14-5-8-17-40(35)49;;;/h1-38,71H;1-34,65H;3-26,49H,1-2H3;;;/q;;;3*+1
InChIKeyATDIZWJBRKDMAR-UHFFFAOYSA-N
MW2394.59 g/mol
LogP27.34
Rot. Bonds16

About trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate

trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate (PubChem CID 157222360) has the molecular formula C165H105Li3N17O3+3 and a molecular weight of 2394.59 g/mol. Its IUPAC name is trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate.

Molecular Properties

Compound Nametrilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
PubChem CID157222360
Molecular FormulaC165H105Li3N17O3+3
Molecular Weight2394.59 g/mol
Exact Mass2392.90
IUPAC Nametrilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8[O-])[nH+]c7c6n5)c4)c3c21.[Li+].[Li+].[Li+].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cccc76)n5)c4)nc3c2[nH+]1.[O-]c1ccccc1-c1ccc2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)n4)nc3c2[nH+]1
InChIInChI=1S/C63H39N7O.C57H35N7O.C45H31N3O.3Li/c71-57-28-12-9-22-49(57)52-36-33-40-30-29-39-32-35-51(64-59(39)60(40)65-52)43-17-13-18-44(37-43)62-66-61(41-15-3-1-4-16-41)67-63(68-62)70-54-26-11-8-23-50(54)58-46(24-14-27-55(58)70)42-31-34-48-47-21-7-10-25-53(47)69(56(48)38-42)45-19-5-2-6-20-45;65-52-24-11-7-20-44(52)46-30-27-35-25-26-36-28-31-47(59-54(36)53(35)58-46)57-61-55(37-13-2-1-3-14-37)60-56(62-57)38-15-12-16-39(33-38)63-50-23-10-6-19-43(50)45-34-40(29-32-51(45)63)64-48-21-8-4-17-41(48)42-18-5-9-22-49(42)64;1-45(2)36-15-6-3-12-31(36)33-22-23-34-32-13-4-7-16-39(32)48(44(34)41(33)45)30-11-9-10-29(26-30)37-24-20-27-18-19-28-21-25-38(47-43(28)42(27)46-37)35-14-5-8-17-40(35)49;;;/h1-38,71H;1-34,65H;3-26,49H,1-2H3;;;/q;;;3*+1
InChIKeyATDIZWJBRKDMAR-UHFFFAOYSA-N
XLogP27.34
TPSA252.26 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002394.59
LogP ≤ 527.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate with MolForge

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Related Compounds

dizinc;tetrakis(2-benzhydryl-6-(1H-benzimidazol-2-yl)-4-methylphenolate)
CID 139041399
2-[9-[4-[4-(12,12-Dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-2-yl]phenol
CID 137255016
Lithium 2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820252
Lithium 2-[9-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820263
Lithium 2-[9-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820265
Lithium 2-[9-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820272
Lithium 2-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820276
Lithium 2-[9-[4-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820281
Lithium 2-[9-[6-(11,11-dimethyl-2-propan-2-ylindeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820283
Lithium 2-[9-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820285
Lithium 2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820287
2-[1-[3-[1-[3,5-Di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]isoquinolin-3-yl]phenol;3-[6-[3-[1-[3,5-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]naphthalen-2-ol;2-[3-[1-[3,5-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]-6-propan-2-ylisoquinolin-1-yl]phenol;3-[6-[1-[3,5-di(propan-2-yl)phenyl]-2-phenylbenzimidazol-4-yl]-2-pyridinyl]naphthalen-2-ol;2-[1-[3,5-di(propan-2-yl)phenyl]-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]phenol;platinum
CID 157051028

Frequently Asked Questions

What is the IUPAC name of trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate?
The IUPAC name of trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate (CID 157222360) is trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate.
What is the SMILES notation for trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate?
The canonical SMILES for trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6ccc7ccc(-c8ccccc8[O-])[nH+]c7c6n5)c4)c3c21.[Li+].[Li+].[Li+].[O-]c1ccccc1-c1ccc2ccc3ccc(-c4cccc(-c5nc(-c6ccccc6)nc(-n6c7ccccc7c7c(-c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c8)cccc76)n5)c4)nc3c2[nH+]1.[O-]c1ccccc1-c1ccc2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)c5)n4)nc3c2[nH+]1.
What is the InChIKey of trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate?
The InChIKey is ATDIZWJBRKDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7O.C57H35N7O.C45H31N3O.3Li/c71-57-28-12-9-22-49(57)52-36-33-40-30-29-39-32-35-51(64-59(39)60(40)65-52)43-17-13-18-44(37-43)62-66-61(41-15-3-1-4-16-41)67-63(68-62)70-54-26-11-8-23-50(54)58-46(24-14-27-55(58)70)42-31-34-48-47-21-7-10-25-53(47)69(56(48)38-42)45-19-5-2-6-20-45;65-52-24-11-7-20-44(52)46-30-27-35-25-26-36-28-31-47(59-54(36)53(35)58-46)57-61-55(37-13-2-1-3-14-37)60-56(62-57)38-15-12-16-39(33-38)63-50-23-10-6-19-43(50)45-34-40(29-32-51(45)63)64-48-21-8-4-17-41(48)42-18-5-9-22-49(42)64;1-45(2)36-15-6-3-12-31(36)33-22-23-34-32-13-4-7-16-39(32)48(44(34)41(33)45)30-11-9-10-29(26-30)37-24-20-27-18-19-28-21-25-38(47-43(28)42(27)46-37)35-14-5-8-17-40(35)49;;;/h1-38,71H;1-34,65H;3-26,49H,1-2H3;;;/q;;;3*+1.
What are the key properties of trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate?
trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate has a molecular weight of 2394.59 g/mol, XLogP of 27.34, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;2-[9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate;2-[9-[3-[4-phenyl-6-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthrolin-1-ium-2-yl]phenolate is sourced from PubChem (CID 157222360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).