2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline

C229H197F13Ir10N10O22-10 — CID 158010827

About 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline

2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline (PubChem CID 158010827) has the molecular formula C229H197F13Ir10N10O22-10 and a molecular weight of 5610.29 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline.

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline
• PubChem CID: 158010827
• Molecular Formula: C229H197F13Ir10N10O22-10
• Molecular Weight: 5610.29 g/mol
• Exact Mass: 5615.07
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline
• SMILES: 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.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.COc1c[c-]c(-c2ccc3ccccc3n2)cc1.COc1cc[c-]c(-c2ccc3ccccc3n2)c1.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc[c-]c1-c1cc(-c2ccccc2)c2ccccc2n1.FC(F)(F)C1=CC(c2ccc3ccccc3n2)=[C-]CC1.FC(F)(F)c1c[c-]c(-c2ccc3ccccc3n2)cc1.FC(F)(F)c1ccc[c-]c1-c1ccc2ccccc2n1.Fc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1cccc2ccccc12
• InChI: InChI=1S/C25H16N.C22H16N.C21H12F2N.C16H9F3N.C16H11F3N.C16H9F3N.2C16H12NO.C16H12N.C15H8F2N.10C5H8O2.10Ir/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-26-25(24)23-15-6-11-19-9-2-4-13-21(19)23;1-16-9-5-6-12-18(16)22-15-20(17-10-3-2-4-11-17)19-13-7-8-14-21(19)23-22;22-15-10-11-17(19(23)12-15)21-13-18(14-6-2-1-3-7-14)16-8-4-5-9-20(16)24-21;17-16(18,19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)20-15;17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15;17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;1-18-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17-16;1-18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;10*1-4(6)3-5(2)7;;;;;;;;;;/h1-14,16-17H;2-11,13-15H,1H3;1-10,12-13H;1-5,7-10H;1-2,4,7-10H,3,6H2;1-5,7-10H;2-5,7-11H,1H3;2-6,8-11H,1H3;2-7,9-11H,1H3;1-6,8-9H;10*3,6H,1-2H3;;;;;;;;;;/q10*-1
• InChIKey: VQEVHHFZTOBGCA-UHFFFAOYSA-N
• XLogP: 57.75
• TPSA: 520.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 284
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5610.29
LogP ≤ 5	57.75
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline (CID 158010827) is 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline.

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline is 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.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.COc1c[c-]c(-c2ccc3ccccc3n2)cc1.COc1cc[c-]c(-c2ccc3ccccc3n2)c1.Cc1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccc[c-]c1-c1cc(-c2ccccc2)c2ccccc2n1.FC(F)(F)C1=CC(c2ccc3ccccc3n2)=[C-]CC1.FC(F)(F)c1c[c-]c(-c2ccc3ccccc3n2)cc1.FC(F)(F)c1ccc[c-]c1-c1ccc2ccccc2n1.Fc1c[c-]c(-c2cc(-c3ccccc3)c3ccccc3n2)c(F)c1.Fc1c[c-]c(-c2ccc3ccccc3n2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2ccccc2c1-c1ncccc1-c1cccc2ccccc12.

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline?

The InChIKey is VQEVHHFZTOBGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.C22H16N.C21H12F2N.C16H9F3N.C16H11F3N.C16H9F3N.2C16H12NO.C16H12N.C15H8F2N.10C5H8O2.10Ir/c1-3-12-20-18(8-1)10-5-14-22(20)24-16-7-17-26-25(24)23-15-6-11-19-9-2-4-13-21(19)23;1-16-9-5-6-12-18(16)22-15-20(17-10-3-2-4-11-17)19-13-7-8-14-21(19)23-22;22-15-10-11-17(19(23)12-15)21-13-18(14-6-2-1-3-7-14)16-8-4-5-9-20(16)24-21;17-16(18,19)13-7-3-2-6-12(13)15-10-9-11-5-1-4-8-14(11)20-15;17-16(18,19)13-6-3-5-12(10-13)15-9-8-11-4-1-2-7-14(11)20-15;17-16(18,19)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15;1-18-14-7-4-6-13(11-14)16-10-9-12-5-2-3-8-15(12)17-16;1-18-14-9-6-13(7-10-14)16-11-8-12-4-2-3-5-15(12)17-16;1-12-11-16(13-7-3-2-4-8-13)17-15-10-6-5-9-14(12)15;16-11-6-7-12(13(17)9-11)15-8-5-10-3-1-2-4-14(10)18-15;10*1-4(6)3-5(2)7;;;;;;;;;;/h1-14,16-17H;2-11,13-15H,1H3;1-10,12-13H;1-5,7-10H;1-2,4,7-10H,3,6H2;1-5,7-10H;2-5,7-11H,1H3;2-6,8-11H,1H3;2-7,9-11H,1H3;1-6,8-9H;10*3,6H,1-2H3;;;;;;;;;;/q10*-1;;;;;;;;;;;;;;;;;;;;.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline?

2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline has a molecular weight of 5610.29 g/mol, XLogP of 57.75, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;decakis(4-hydroxypent-3-en-2-one);decakis(iridium);2-(3-methoxybenzene-6-id-1-yl)quinoline;2-(4-methoxybenzene-6-id-1-yl)quinoline;2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;2-[2-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]quinoline is sourced from PubChem (CID 158010827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).