spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane

C89H74N6Si2+6 — CID 159540002

IUPACspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
SMILESCc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2c3ccccc3cc[n+]21.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2ccc3ccccc3[n+]21.c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2c3ccccc3cc[n+]21
InChIInChI=1S/2C31H28N2Si.C27H18N2/c1-21-19-29-24-13-7-9-15-26(24)31(32(29)20-30(21)34(2,3)4)25-14-8-6-12-23(25)28-18-17-22-11-5-10-16-27(22)33(28)31;1-21-19-28-24-13-7-9-15-26(24)31(33(28)20-29(21)34(2,3)4)27-16-10-8-14-25(27)30-23-12-6-5-11-22(23)17-18-32(30)31;1-2-10-20-19(9-1)16-18-29-26(20)22-12-4-6-14-24(22)27(29)23-13-5-3-11-21(23)25-15-7-8-17-28(25)27/h2*5-20H,1-4H3;1-18H/q3*+2
InChIKeyWFSMCQDDNAHXDE-UHFFFAOYSA-N
MW1283.78 g/mol
LogP15.73
Rot. Bonds2

About spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane

spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane (PubChem CID 159540002) has the molecular formula C89H74N6Si2+6 and a molecular weight of 1283.78 g/mol. Its IUPAC name is spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane.

Molecular Properties

Compound Namespiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
PubChem CID159540002
Molecular FormulaC89H74N6Si2+6
Molecular Weight1283.78 g/mol
Exact Mass1282.55
IUPAC Namespiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
SMILESCc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2c3ccccc3cc[n+]21.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2ccc3ccccc3[n+]21.c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2c3ccccc3cc[n+]21
InChIInChI=1S/2C31H28N2Si.C27H18N2/c1-21-19-29-24-13-7-9-15-26(24)31(32(29)20-30(21)34(2,3)4)25-14-8-6-12-23(25)28-18-17-22-11-5-10-16-27(22)33(28)31;1-21-19-28-24-13-7-9-15-26(24)31(33(28)20-29(21)34(2,3)4)27-16-10-8-14-25(27)30-23-12-6-5-11-22(23)17-18-32(30)31;1-2-10-20-19(9-1)16-18-29-26(20)22-12-4-6-14-24(22)27(29)23-13-5-3-11-21(23)25-15-7-8-17-28(25)27/h2*5-20H,1-4H3;1-18H/q3*+2
InChIKeyWFSMCQDDNAHXDE-UHFFFAOYSA-N
XLogP15.73
TPSA23.28 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.78
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane with MolForge

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Related Compounds

spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];spiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl(spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl(spiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
CID 160504363
trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
CID 140710790
29-(4-methylphenyl)-10-phenyl-25-oxa-2,22,38-triazonianonacyclo[25.10.1.11,8.02,7.013,22.014,19.031,38.032,37.012,39]nonatriaconta-2,4,6,8(39),9,11,13(22),14,16,18,20,27,29,31(38),32,34,36-heptadecaen-26-one
CID 123565528
9,9-dimethyl-26-propan-2-ylspiro[17-azoniaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene-18,6'-pyrido[2,1-a]isoindol-5-ium]
CID 167354930
spiro[3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),11,15,17,19,21,23-nonaene-14,6'-pyrido[2,1-a]isoindol-5-ium]
CID 158736506
N,N-dimethyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium]-9-amine
CID 21042169
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
5,7,13,15,18,18-hexamethylspiro[10-azoniahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene-9,6'-pyrido[2,1-a]isoindol-5-ium]
CID 167354490
5,5,6-triethyl-6-methylisoquinolino[1,2-a]isoquinolin-7-ium
CID 123569955
[22-(2,5-diphenylphenyl)-20-fluoro-2'-methyl-7-(4-methylphenyl)-8'-phenylspiro[3-oxa-22-aza-15-azoniahexacyclo[11.10.0.02,10.04,9.015,23.016,21]tricosa-1(13),2(10),4(9),5,7,11,15(23),16(21),17,19-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 167355495
[2'-tert-butyl-22-(2,4-diphenylphenyl)-7-(4-methylphenyl)spiro[10-oxa-22-aza-15-azoniahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4(9),5,7,11,15(23),16,18,20-decaene-14,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl]-trimethylsilane
CID 167355088
spiro[7,20-diazoniapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,6'-pyrido[2,1-a]isoindol-5-ium]
CID 142955188

Frequently Asked Questions

What is the IUPAC name of spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?
The IUPAC name of spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane (CID 159540002) is spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane.
What is the SMILES notation for spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?
The canonical SMILES for spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane is Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2c3ccccc3cc[n+]21.Cc1cc2[n+](cc1[Si](C)(C)C)C1(c3ccccc3-2)c2ccccc2-c2ccc3ccccc3[n+]21.c1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2c3ccccc3cc[n+]21.
What is the InChIKey of spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?
The InChIKey is WFSMCQDDNAHXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H28N2Si.C27H18N2/c1-21-19-29-24-13-7-9-15-26(24)31(32(29)20-30(21)34(2,3)4)25-14-8-6-12-23(25)28-18-17-22-11-5-10-16-27(22)33(28)31;1-21-19-28-24-13-7-9-15-26(24)31(33(28)20-29(21)34(2,3)4)27-16-10-8-14-25(27)30-23-12-6-5-11-22(23)17-18-32(30)31;1-2-10-20-19(9-1)16-18-29-26(20)22-12-4-6-14-24(22)27(29)23-13-5-3-11-21(23)25-15-7-8-17-28(25)27/h2*5-20H,1-4H3;1-18H/q3*+2.
What are the key properties of spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane?
spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane has a molecular weight of 1283.78 g/mol, XLogP of 15.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium];trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane;trimethyl-(2'-methylspiro[isoindolo[2,1-a]quinolin-12-ium-11,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane is sourced from PubChem (CID 159540002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).