benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene

C144H117N3O2S — CID 159713959

About benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene

benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene (PubChem CID 159713959) has the molecular formula C144H117N3O2S and a molecular weight of 1953.61 g/mol. Its IUPAC name is benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene.

Molecular Properties

• Compound Name: benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene
• PubChem CID: 159713959
• Molecular Formula: C144H117N3O2S
• Molecular Weight: 1953.61 g/mol
• Exact Mass: 1951.89
• IUPAC Name: benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene
• SMILES: c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
• InChI: InChI=1S/C20H14.C18H14.C16H12.C13H12.C12H11N.C12H10O.C12H10.C11H9N.C10H9N.C10H8O.C10H8S/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-2-5-9(6-3-1)10-7-4-8-11-10/h1-14H;1-14H;1-12H;1-10H,11H2;1-10,13H;1-10H;1-10H;1-9H;1-8,11H;2*1-8H
• InChIKey: MZEPTSIKFUDJEE-UHFFFAOYSA-N
• XLogP: 40.52
• TPSA: 63.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1953.61
LogP ≤ 5	40.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene?

The IUPAC name of benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene (CID 159713959) is benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene.

What is the SMILES notation for benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene?

The canonical SMILES for benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene is c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2cccc3ccccc23)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.

What is the InChIKey of benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene?

The InChIKey is MZEPTSIKFUDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C18H14.C16H12.C13H12.C12H11N.C12H10O.C12H10.C11H9N.C10H9N.C10H8O.C10H8S/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;3*1-2-5-9(6-3-1)10-7-4-8-11-10/h1-14H;1-14H;1-12H;1-10H,11H2;1-10,13H;1-10H;1-10H;1-9H;1-8,11H;2*1-8H.

What are the key properties of benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene?

benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene has a molecular weight of 1953.61 g/mol, XLogP of 40.52, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzylbenzene;1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;phenoxybenzene;N-phenylaniline;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene is sourced from PubChem (CID 159713959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).