9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)

C183H150N12S2Si3+6 — CID 158910728

IUPAC9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)
SMILESCC(C)Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccc(-c5ccc6c(c5)-c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5C6)cc4C4Sc5ccccc5C43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C63H42N4S2.C36H24N2.C30H32N2Si.2C27H26N2Si/c1-4-14-38(15-5-1)53-37-54(39-16-6-2-7-17-39)65-63(64-53)67-56-31-29-43(36-52(56)62-60(67)48-21-11-13-23-58(48)69-62)41-25-27-45-32-44-26-24-40(33-49(44)50(45)34-41)42-28-30-55-51(35-42)61-59(47-20-10-12-22-57(47)68-61)66(55)46-18-8-3-9-19-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-21(2)18-22-19-28-24-13-7-9-15-26(24)30(32(28)20-29(22)33(3,4)5)25-14-8-6-12-23(25)27-16-10-11-17-31(27)30;2*1-19-17-25-21-12-6-8-14-23(21)27(29(25)18-26(19)30(2,3)4)22-13-7-5-11-20(22)24-15-9-10-16-28(24)27/h1-31,33-37,59-62H,32H2;1-24H;6-17,19-21H,18H2,1-5H3;2*5-18H,1-4H3/q;;3*+2
InChIKeyXOOFROBSIXREID-UHFFFAOYSA-N
MW2665.69 g/mol
LogP40.35
Rot. Bonds14

About 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) (PubChem CID 158910728) has the molecular formula C183H150N12S2Si3+6 and a molecular weight of 2665.69 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane).

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)
PubChem CID158910728
Molecular FormulaC183H150N12S2Si3+6
Molecular Weight2665.69 g/mol
Exact Mass2663.08
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)
SMILESCC(C)Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccc(-c5ccc6c(c5)-c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5C6)cc4C4Sc5ccccc5C43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C63H42N4S2.C36H24N2.C30H32N2Si.2C27H26N2Si/c1-4-14-38(15-5-1)53-37-54(39-16-6-2-7-17-39)65-63(64-53)67-56-31-29-43(36-52(56)62-60(67)48-21-11-13-23-58(48)69-62)41-25-27-45-32-44-26-24-40(33-49(44)50(45)34-41)42-28-30-55-51(35-42)61-59(47-20-10-12-22-57(47)68-61)66(55)46-18-8-3-9-19-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-21(2)18-22-19-28-24-13-7-9-15-26(24)30(32(28)20-29(22)33(3,4)5)25-14-8-6-12-23(25)27-16-10-11-17-31(27)30;2*1-19-17-25-21-12-6-8-14-23(21)27(29(25)18-26(19)30(2,3)4)22-13-7-5-11-20(22)24-15-9-10-16-28(24)27/h1-31,33-37,59-62H,32H2;1-24H;6-17,19-21H,18H2,1-5H3;2*5-18H,1-4H3/q;;3*+2
InChIKeyXOOFROBSIXREID-UHFFFAOYSA-N
XLogP40.35
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002665.69
LogP ≤ 540.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) with MolForge

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Related Compounds

3-[6-[10-(3,5-diphenylphenyl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9-phenylcarbazol-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole
CID 121285667
3-[8-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]dibenzothiophen-2-yl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 121287789
9-[4-[6-[4-[3,6-bis(2-methylpropyl)carbazol-9-yl]phenyl]-9H-fluoren-3-yl]phenyl]-3,6-bis(2-methylpropyl)carbazole;9-[4-[6-[4-[3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazol-9-yl]phenyl]-9H-fluoren-3-yl]phenyl]-3,6-bis(9,9'-spirobi[fluorene]-2-yl)carbazole;9-[4-[6-(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-fluoren-3-yl]-2,3-dimethylphenyl]carbazole;9-[4-[6-(4-carbazol-9-yl-2,5-dimethylphenyl)-9H-fluoren-3-yl]-2,5-dimethylphenyl]carbazole
CID 158562737
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene];10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 159371492
10-(4,6-diphenylpyrimidin-2-yl)-2'-[9-(4-methylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 118231877
9-[4-[6-(4-ethylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 159891621
3-[9-[4-(7'-fluoro-9,9'-spirobi[fluorene]-2'-yl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 121276709
10-(4,6-diphenylpyrimidin-2-yl)-2'-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 118231882
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) (CID 158910728) is 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane).
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) is CC(C)Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-c3cccc[n+]31)c1ccccc1-2.c1ccc(-c2cc(-c3ccccc3)nc(N3c4ccc(-c5ccc6c(c5)-c5cc(-c7ccc8c(c7)C7Sc9ccccc9C7N8c7ccccc7)ccc5C6)cc4C4Sc5ccccc5C43)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)?
The InChIKey is XOOFROBSIXREID-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4S2.C36H24N2.C30H32N2Si.2C27H26N2Si/c1-4-14-38(15-5-1)53-37-54(39-16-6-2-7-17-39)65-63(64-53)67-56-31-29-43(36-52(56)62-60(67)48-21-11-13-23-58(48)69-62)41-25-27-45-32-44-26-24-40(33-49(44)50(45)34-41)42-28-30-55-51(35-42)61-59(47-20-10-12-22-57(47)68-61)66(55)46-18-8-3-9-19-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;1-21(2)18-22-19-28-24-13-7-9-15-26(24)30(32(28)20-29(22)33(3,4)5)25-14-8-6-12-23(25)27-16-10-11-17-31(27)30;2*1-19-17-25-21-12-6-8-14-23(21)27(29(25)18-26(19)30(2,3)4)22-13-7-5-11-20(22)24-15-9-10-16-28(24)27/h1-31,33-37,59-62H,32H2;1-24H;6-17,19-21H,18H2,1-5H3;2*5-18H,1-4H3/q;;3*+2.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane)?
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) has a molecular weight of 2665.69 g/mol, XLogP of 40.35, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-[6-[10-(4,6-diphenylpyrimidin-2-yl)-4b,9b-dihydro-[1]benzothiolo[3,2-b]indol-3-yl]-9H-fluoren-3-yl]-10-phenyl-4b,9b-dihydro-[1]benzothiolo[3,2-b]indole;trimethyl-[2'-(2-methylpropyl)-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl]silane;bis(trimethyl-(2'-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane) is sourced from PubChem (CID 158910728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).