7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium

C73H52N11+ — CID 123395601

IUPAC7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium
SMILESC1=C(c2nccc3ccccc23)c2c(-c3ccc4ccccc4n3)c(C3NCc4ccccc43)c(N3CCc4ccccc43)c(-c3ccn4ccccc34)c2[N+](c2cc3ccccc3[nH]2)(c2n[nH]c3ccccc23)N1c1[nH]cc2ccccc12
InChIInChI=1S/C73H52N11/c1-7-23-51-45(17-1)34-37-74-68(51)56-44-83(72-53-25-9-3-22-50(53)43-76-72)84(63-41-48-20-5-12-28-58(48)78-63,73-54-26-10-13-29-59(54)79-80-73)71-64(56)66(60-33-32-46-18-4-11-27-57(46)77-60)67(69-52-24-8-2-21-49(52)42-75-69)70(82-40-35-47-19-6-14-30-61(47)82)65(71)55-36-39-81-38-16-15-31-62(55)81/h1-34,36-39,41,43-44,69,75-76,78H,35,40,42H2,(H,79,80)/q+1
InChIKeyMTFIMTOGSCTVDC-UHFFFAOYSA-N
MW1083.30 g/mol
LogP16.89
Rot. Bonds8

About 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium

7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium (PubChem CID 123395601) has the molecular formula C73H52N11+ and a molecular weight of 1083.30 g/mol. Its IUPAC name is 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium.

Molecular Properties

Compound Name7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium
PubChem CID123395601
Molecular FormulaC73H52N11+
Molecular Weight1083.30 g/mol
Exact Mass1082.44
IUPAC Name7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium
SMILESC1=C(c2nccc3ccccc23)c2c(-c3ccc4ccccc4n3)c(C3NCc4ccccc43)c(N3CCc4ccccc43)c(-c3ccn4ccccc34)c2[N+](c2cc3ccccc3[nH]2)(c2n[nH]c3ccccc23)N1c1[nH]cc2ccccc12
InChIInChI=1S/C73H52N11/c1-7-23-51-45(17-1)34-37-74-68(51)56-44-83(72-53-25-9-3-22-50(53)43-76-72)84(63-41-48-20-5-12-28-58(48)78-63,73-54-26-10-13-29-59(54)79-80-73)71-64(56)66(60-33-32-46-18-4-11-27-57(46)77-60)67(69-52-24-8-2-21-49(52)42-75-69)70(82-40-35-47-19-6-14-30-61(47)82)65(71)55-36-39-81-38-16-15-31-62(55)81/h1-34,36-39,41,43-44,69,75-76,78H,35,40,42H2,(H,79,80)/q+1
InChIKeyMTFIMTOGSCTVDC-UHFFFAOYSA-N
XLogP16.89
TPSA108.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.30
LogP ≤ 516.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium?
The IUPAC name of 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium (CID 123395601) is 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium.
What is the SMILES notation for 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium?
The canonical SMILES for 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium is C1=C(c2nccc3ccccc23)c2c(-c3ccc4ccccc4n3)c(C3NCc4ccccc43)c(N3CCc4ccccc43)c(-c3ccn4ccccc34)c2[N+](c2cc3ccccc3[nH]2)(c2n[nH]c3ccccc23)N1c1[nH]cc2ccccc12.
What is the InChIKey of 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium?
The InChIKey is MTFIMTOGSCTVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N11/c1-7-23-51-45(17-1)34-37-74-68(51)56-44-83(72-53-25-9-3-22-50(53)43-76-72)84(63-41-48-20-5-12-28-58(48)78-63,73-54-26-10-13-29-59(54)79-80-73)71-64(56)66(60-33-32-46-18-4-11-27-57(46)77-60)67(69-52-24-8-2-21-49(52)42-75-69)70(82-40-35-47-19-6-14-30-61(47)82)65(71)55-36-39-81-38-16-15-31-62(55)81/h1-34,36-39,41,43-44,69,75-76,78H,35,40,42H2,(H,79,80)/q+1.
What are the key properties of 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium?
7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium has a molecular weight of 1083.30 g/mol, XLogP of 16.89, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindol-1-yl)-6-(2,3-dihydro-1H-isoindol-1-yl)-1-(1H-indazol-3-yl)-8-indolizin-1-yl-1-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-4-isoquinolin-1-yl-5-quinolin-2-ylcinnolin-1-ium is sourced from PubChem (CID 123395601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).