1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium

C80H62F2N8+6 — CID 159530552

IUPAC1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium
SMILESFc1cc(F)c2c(c1)C[n+]1ccccc1-2.c1cc[n+]2c(c1)-c1cc3ccccc3cc1C2.c1cc[n+]2c(c1)-n1cc3ccccc3c1C2.c1cc[n+]2c(c1)-n1cccc1C2.c1ccc2c(c1)C[n+]1c-2ccc2ccccc21.c1ccc2c(c1)C[n+]1ccccc1-2
InChIInChI=1S/2C16H12N.C14H11N2.C12H8F2N.C12H10N.C10H9N2/c1-3-7-14-13(6-1)11-17-15-8-4-2-5-12(15)9-10-16(14)17;1-2-6-13-10-15-14(9-12(13)5-1)11-17-8-4-3-7-16(15)17;1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16;13-9-5-8-7-15-4-2-1-3-11(15)12(8)10(14)6-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h2*1-10H,11H2;1-9H,10H2;1-6H,7H2;1-8H,9H2;1-7H,8H2/q6*+1
InChIKeyRQPINGPUWPQUHB-UHFFFAOYSA-N
MW1173.43 g/mol
LogP14.00
Rot. Bonds

About 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium

1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 159530552) has the molecular formula C80H62F2N8+6 and a molecular weight of 1173.43 g/mol. Its IUPAC name is 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID159530552
Molecular FormulaC80H62F2N8+6
Molecular Weight1173.43 g/mol
Exact Mass1172.50
IUPAC Name1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium
SMILESFc1cc(F)c2c(c1)C[n+]1ccccc1-2.c1cc[n+]2c(c1)-c1cc3ccccc3cc1C2.c1cc[n+]2c(c1)-n1cc3ccccc3c1C2.c1cc[n+]2c(c1)-n1cccc1C2.c1ccc2c(c1)C[n+]1c-2ccc2ccccc21.c1ccc2c(c1)C[n+]1ccccc1-2
InChIInChI=1S/2C16H12N.C14H11N2.C12H8F2N.C12H10N.C10H9N2/c1-3-7-14-13(6-1)11-17-15-8-4-2-5-12(15)9-10-16(14)17;1-2-6-13-10-15-14(9-12(13)5-1)11-17-8-4-3-7-16(15)17;1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16;13-9-5-8-7-15-4-2-1-3-11(15)12(8)10(14)6-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h2*1-10H,11H2;1-9H,10H2;1-6H,7H2;1-8H,9H2;1-7H,8H2/q6*+1
InChIKeyRQPINGPUWPQUHB-UHFFFAOYSA-N
XLogP14.00
TPSA33.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001173.43
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium (CID 159530552) is 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium is Fc1cc(F)c2c(c1)C[n+]1ccccc1-2.c1cc[n+]2c(c1)-c1cc3ccccc3cc1C2.c1cc[n+]2c(c1)-n1cc3ccccc3c1C2.c1cc[n+]2c(c1)-n1cccc1C2.c1ccc2c(c1)C[n+]1c-2ccc2ccccc21.c1ccc2c(c1)C[n+]1ccccc1-2.
What is the InChIKey of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is RQPINGPUWPQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H12N.C14H11N2.C12H8F2N.C12H10N.C10H9N2/c1-3-7-14-13(6-1)11-17-15-8-4-2-5-12(15)9-10-16(14)17;1-2-6-13-10-15-14(9-12(13)5-1)11-17-8-4-3-7-16(15)17;1-2-6-12-11(5-1)9-16-13(12)10-15-8-4-3-7-14(15)16;13-9-5-8-7-15-4-2-1-3-11(15)12(8)10(14)6-9;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-11-8-9-4-3-7-12(9)10(11)5-1/h2*1-10H,11H2;1-9H,10H2;1-6H,7H2;1-8H,9H2;1-7H,8H2/q6*+1.
What are the key properties of 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium?
1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 1173.43 g/mol, XLogP of 14.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aza-7-azoniatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,9,11,13,15-heptaene;2-aza-8-azoniatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene;8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium;11H-isoindolo[2,1-a]quinolin-12-ium;6H-naphtho[2,3-a]indolizin-5-ium;6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 159530552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).