1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene

C169H192F2N8O13S3 — CID 159344604

About 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene

1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene (PubChem CID 159344604) has the molecular formula C169H192F2N8O13S3 and a molecular weight of 2677.63 g/mol. Its IUPAC name is 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene.

Molecular Properties

• Compound Name: 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene
• PubChem CID: 159344604
• Molecular Formula: C169H192F2N8O13S3
• Molecular Weight: 2677.63 g/mol
• Exact Mass: 2675.37
• IUPAC Name: 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene
• SMILES: C=S(C)(=O)Nc1ccccc1.CC(C)CNC(=O)c1ccccc1.CC(C)NC(=O)c1ccccc1.CC(F)(F)c1ccc(Oc2ccccc2)cc1.CCCS(=O)(=O)Nc1ccccc1.CCOC1C=CC(c2ccccc2)=CC1.CN(C)C(=O)c1ccccc1.CN(C)CCc1ccccc1.CN(C)Cc1ccccc1.CN(C)S(=O)(=O)c1ccccc1.COc1ccc2ccccc2c1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(COc2ccccc2)cc1
• InChI: InChI=1S/C14H12F2O.C14H16O.2C13H12O.C12H10.C11H15NO.C11H10O.C11H10.C10H13NO.C10H15N.C9H13NO2S.C9H11NO.C9H13N.C8H11NO2S.C8H11NOS.C7H8/c1-14(15,16)11-7-9-13(10-8-11)17-12-5-3-2-4-6-12;1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)8-12-11(13)10-6-4-3-5-7-10;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-11(2)9-8-10-6-4-3-5-7-10;1-2-8-13(11,12)10-9-6-4-3-5-7-9;1-10(2)9(11)8-6-4-3-5-7-8;1-10(2)8-9-6-4-3-5-7-9;1-9(2)12(10,11)8-6-4-3-5-7-8;1-11(2,10)9-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h2-10H,1H3;3-10,14H,2,11H2,1H3;2-10H,1H3;1-10H,11H2;1-10H;3-7,9H,8H2,1-2H3,(H,12,13);2-8H,1H3;2-8H,1H3;3-8H,1-2H3,(H,11,12);3-7H,8-9H2,1-2H3;3-7,10H,2,8H2,1H3;3-7H,1-2H3;3-7H,8H2,1-2H3;3-7H,1-2H3;3-7H,1H2,2H3,(H,9,10);2-6H,1H3
• InChIKey: LGOFWQWISZVBNQ-UHFFFAOYSA-N
• XLogP: 39.38
• TPSA: 243.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 32
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2677.63
LogP ≤ 5	39.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene?

The IUPAC name of 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene (CID 159344604) is 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene.

What is the SMILES notation for 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene?

The canonical SMILES for 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene is C=S(C)(=O)Nc1ccccc1.CC(C)CNC(=O)c1ccccc1.CC(C)NC(=O)c1ccccc1.CC(F)(F)c1ccc(Oc2ccccc2)cc1.CCCS(=O)(=O)Nc1ccccc1.CCOC1C=CC(c2ccccc2)=CC1.CN(C)C(=O)c1ccccc1.CN(C)CCc1ccccc1.CN(C)Cc1ccccc1.CN(C)S(=O)(=O)c1ccccc1.COc1ccc2ccccc2c1.Cc1ccc(Oc2ccccc2)cc1.Cc1ccc2ccccc2c1.Cc1ccccc1.c1ccc(-c2ccccc2)cc1.c1ccc(COc2ccccc2)cc1.

What is the InChIKey of 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene?

The InChIKey is LGOFWQWISZVBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O.C14H16O.2C13H12O.C12H10.C11H15NO.C11H10O.C11H10.C10H13NO.C10H15N.C9H13NO2S.C9H11NO.C9H13N.C8H11NO2S.C8H11NOS.C7H8/c1-14(15,16)11-7-9-13(10-8-11)17-12-5-3-2-4-6-12;1-2-15-14-10-8-13(9-11-14)12-6-4-3-5-7-12;1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)8-12-11(13)10-6-4-3-5-7-10;1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8(2)11-10(12)9-6-4-3-5-7-9;1-11(2)9-8-10-6-4-3-5-7-10;1-2-8-13(11,12)10-9-6-4-3-5-7-9;1-10(2)9(11)8-6-4-3-5-7-8;1-10(2)8-9-6-4-3-5-7-9;1-9(2)12(10,11)8-6-4-3-5-7-8;1-11(2,10)9-8-6-4-3-5-7-8;1-7-5-3-2-4-6-7/h2-10H,1H3;3-10,14H,2,11H2,1H3;2-10H,1H3;1-10H,11H2;1-10H;3-7,9H,8H2,1-2H3,(H,12,13);2-8H,1H3;2-8H,1H3;3-8H,1-2H3,(H,11,12);3-7H,8-9H2,1-2H3;3-7,10H,2,8H2,1H3;3-7H,1-2H3;3-7H,8H2,1-2H3;3-7H,1-2H3;3-7H,1H2,2H3,(H,9,10);2-6H,1H3.

What are the key properties of 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene?

1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene has a molecular weight of 2677.63 g/mol, XLogP of 39.38, 32 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1'-biphenyl;1-(1,1-difluoroethyl)-4-phenoxybenzene;N,N-dimethylbenzamide;N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-phenylethanamine;N,N-dimethyl-1-phenylmethanamine;(4-ethoxycyclohexa-1,5-dien-1-yl)benzene;2-methoxynaphthalene;N-(methyl-methylidene-oxo-λ6-sulfanyl)aniline;2-methylnaphthalene;1-methyl-4-phenoxybenzene;N-(2-methylpropyl)benzamide;phenoxymethylbenzene;N-phenylpropane-1-sulfonamide;N-propan-2-ylbenzamide;toluene is sourced from PubChem (CID 159344604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).