10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)

C120H101F8Ir6N8O11PtS3-7 — CID 160797222

About 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)

10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline) (PubChem CID 160797222) has the molecular formula C120H101F8Ir6N8O11PtS3-7 and a molecular weight of 3427.74 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline).

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)
• PubChem CID: 160797222
• Molecular Formula: C120H101F8Ir6N8O11PtS3-7
• Molecular Weight: 3427.74 g/mol
• Exact Mass: 3430.41
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)
• SMILES: C/N=C/c1ccccc1O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.FC(F)(F)c1c[c-]c(-c2cc3ccccc3cn2)cc1.FC(F)(F)c1c[c-]c(-c2cc3ccccc3cn2)cc1.Fc1[c-]c(-c2cc3ccccc3cn2)cc(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/2C16H9F3N.C15H8F2N.C13H8N.3C9H6NS.C8H9NO.5C5H8O2.6Ir.Pt/c2*17-16(18,19)14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-20-15;16-13-5-12(6-14(17)8-13)15-7-10-3-1-2-4-11(10)9-18-15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;3*1-2-6-10-8(4-1)9-5-3-7-11-9;1-9-6-7-4-2-3-5-8(7)10;5*1-4(6)3-5(2)7;;;;;;;/h2*1-5,7-10H;1-5,7-9H;1-5,7-9H;3*1-4,6-7H;2-6,10H,1H3;5*3,6H,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;/b;;;;;;;9-6+
• InChIKey: ZGZBMCDTLFXUSQ-NBUCWRKJSA-N
• XLogP: 31.05
• TPSA: 309.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3427.74
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline) (CID 160797222) is 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline).

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline) is C/N=C/c1ccccc1O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.FC(F)(F)c1c[c-]c(-c2cc3ccccc3cn2)cc1.FC(F)(F)c1c[c-]c(-c2cc3ccccc3cn2)cc1.Fc1[c-]c(-c2cc3ccccc3cn2)cc(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)?

The InChIKey is ZGZBMCDTLFXUSQ-NBUCWRKJSA-N. The full InChI is InChI=1S/2C16H9F3N.C15H8F2N.C13H8N.3C9H6NS.C8H9NO.5C5H8O2.6Ir.Pt/c2*17-16(18,19)14-7-5-11(6-8-14)15-9-12-3-1-2-4-13(12)10-20-15;16-13-5-12(6-14(17)8-13)15-7-10-3-1-2-4-11(10)9-18-15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;3*1-2-6-10-8(4-1)9-5-3-7-11-9;1-9-6-7-4-2-3-5-8(7)10;5*1-4(6)3-5(2)7;;;;;;;/h2*1-5,7-10H;1-5,7-9H;1-5,7-9H;3*1-4,6-7H;2-6,10H,1H3;5*3,6H,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;/b;;;;;;;9-6+;;;;;;;;;;;;.

What are the key properties of 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline)?

10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline) has a molecular weight of 3427.74 g/mol, XLogP of 31.05, 12 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;3-(3,5-difluorobenzene-6-id-1-yl)isoquinoline;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(methyliminomethyl)phenol;platinum;tris(2-(3H-thiophen-3-id-2-yl)pyridine);bis(3-[4-(trifluoromethyl)benzene-6-id-1-yl]isoquinoline) is sourced from PubChem (CID 160797222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).