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

C147H117N3OS — CID 161050613

IUPAC1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
SMILESC(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.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(Nc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C18H14.C16H12.C14H12.C14H10.C12H11N.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;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;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;1-12H;1-10H;1-10,13H;1-10H;1-9H;1-8,11H;2*1-8H
InChIKeyUCBZUTJZADBXNI-UHFFFAOYSA-N
MW1973.64 g/mol
LogP40.71
Rot. Bonds13

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

1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene (PubChem CID 161050613) has the molecular formula C147H117N3OS and a molecular weight of 1973.64 g/mol. Its IUPAC name is 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene.

Molecular Properties

Compound Name1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
PubChem CID161050613
Molecular FormulaC147H117N3OS
Molecular Weight1973.64 g/mol
Exact Mass1971.89
IUPAC Name1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
SMILESC(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.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(Nc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C18H14.C16H12.C14H12.C14H10.C12H11N.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;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;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;1-12H;1-10H;1-10,13H;1-10H;1-9H;1-8,11H;2*1-8H
InChIKeyUCBZUTJZADBXNI-UHFFFAOYSA-N
XLogP40.71
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001973.64
LogP ≤ 540.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene with MolForge

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Related Compounds

2-Amino-5-(furan-3-yl)benzonitrile;2-amino-5-naphthalen-1-ylbenzonitrile;2-amino-5-pyridin-3-ylbenzonitrile;2-amino-5-thiophen-3-ylbenzonitrile;2-amino-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 158228785
8-ethynyl-3-phenyl-2H-1,3-benzothiazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzothiazin-3-ium;3-(1-methoxy-3-phenylpropan-2-yl)-8-methyl-2H-1,3-benzothiazin-3-ium;2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)phenol;2-(8-methyl-2H-1,3-benzothiazin-3-ium-3-yl)-1,1,3-triphenylpropan-1-ol;8-methyl-3-(1-phenylpropan-2-yl)-2H-1,3-benzothiazin-3-ium;3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzothiazin-3-ium;3-phenyl-8-prop-1-en-2-yl-2H-1,3-benzothiazin-3-ium;3-phenyl-8-prop-2-enyl-2H-1,3-benzothiazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzothiazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzothiazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzothiazin-3-ium
CID 158929523
8-ethynyl-3-phenyl-2H-1,3-benzoxazin-3-ium;8-(furan-2-yl)-3-phenyl-2H-1,3-benzoxazin-3-ium;3-(1-methoxy-3-phenylpropan-2-yl)-8-methyl-2H-1,3-benzoxazin-3-ium;2-(8-methyl-2H-1,3-benzoxazin-3-ium-3-yl)-1,1,3-triphenylpropan-1-ol;3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-prop-1-en-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-prop-2-enyl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-pyridin-2-yl-2H-1,3-benzoxazin-3-ium;3-phenyl-8-(1H-pyrrol-2-yl)-2H-1,3-benzoxazin-3-ium;3-phenyl-8-thiophen-2-yl-2H-1,3-benzoxazin-3-ium
CID 159834342
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 173262702
2-Amino-4-(furan-3-yl)benzonitrile;2-amino-4-naphthalen-1-ylbenzonitrile;2-amino-4-pyridin-3-ylbenzonitrile;2-amino-4-thiophen-3-ylbenzonitrile;2-amino-4-[4-(trifluoromethyl)phenyl]benzonitrile
CID 160523100
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286
2-[8-(Furan-2-yl)-3-pyridin-2-yl-2-thiophen-2-ylnaphthalen-1-yl]quinoline
CID 54326698
1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
2-[3-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-ylphenyl]-1H-indole
CID 90755845
2-[2-[8-[8-[8-[2-(1,2-Dihydropyridin-2-yl)phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 117900816
2-Dibenzofuran-4-yl-5-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]pyridine
CID 118477892

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The IUPAC name of 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene (CID 161050613) is 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene.
What is the SMILES notation for 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The canonical SMILES for 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene is C(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.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(Nc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The InChIKey is UCBZUTJZADBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C18H14.C16H12.C14H12.C14H10.C12H11N.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;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;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;1-12H;1-10H;1-10,13H;1-10H;1-9H;1-8,11H;2*1-8H.
What are the key properties of 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene has a molecular weight of 1973.64 g/mol, XLogP of 40.71, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,4-diphenylbenzene;1-naphthalen-1-ylnaphthalene;N-phenylaniline;2-phenylethynylbenzene;2-phenylfuran;1-phenylnaphthalene;2-phenylpyridine;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene is sourced from PubChem (CID 161050613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).