benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene

C125H102N2O3S — CID 158007994

IUPACbenzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
SMILESC(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1coc(-c2ccncc2)c1
InChIInChI=1S/C20H14.C14H12.C14H10.2C13H12.C12H10O.C10H9N.C10H8O.C10H8S.C9H7NO/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9(11-7-1)8-3-5-10-6-4-8/h1-14H;1-12H;1-10H;2*1-10H,11H2;1-10H;1-8,11H;2*1-8H;1-7H
InChIKeyFENKGSQHBRIZRL-UHFFFAOYSA-N
MW1712.27 g/mol
LogP34.02
Rot. Bonds13

About benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene

benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene (PubChem CID 158007994) has the molecular formula C125H102N2O3S and a molecular weight of 1712.27 g/mol. Its IUPAC name is benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene.

Molecular Properties

Compound Namebenzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
PubChem CID158007994
Molecular FormulaC125H102N2O3S
Molecular Weight1712.27 g/mol
Exact Mass1710.76
IUPAC Namebenzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene
SMILESC(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1coc(-c2ccncc2)c1
InChIInChI=1S/C20H14.C14H12.C14H10.2C13H12.C12H10O.C10H9N.C10H8O.C10H8S.C9H7NO/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9(11-7-1)8-3-5-10-6-4-8/h1-14H;1-12H;1-10H;2*1-10H,11H2;1-10H;1-8,11H;2*1-8H;1-7H
InChIKeyFENKGSQHBRIZRL-UHFFFAOYSA-N
XLogP34.02
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001712.27
LogP ≤ 534.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene with MolForge

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Related Compounds

2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
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CID 53850286
2-[2-[8-[8-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-2-yl]dibenzofuran-2-yl]phenyl]pyridine
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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
3-[2-(1,2-Dihydropyridin-6-yl)phenyl]-9-phenyl-6-[8-[2-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzothiophen-4-yl]dibenzofuran-2-yl]carbazole
CID 118438845
2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-(furan-2-yl)ethanimine;2-[3-(1-azabicyclo[2.2.2]octan-3-yl)-1H-indol-5-yl]-1-thiophen-2-ylethanimine
CID 123204204
2-[[2-[2-[2-[2-[3-(furan-2-yl)-5-naphthalen-1-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenyl]-3-pyridinyl]-1H-indol-3-yl]-1-benzofuran-3-yl]phenyl]sulfanyl-phenylmethyl]-3-isoquinolin-1-ylquinoline
CID 123289308
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(1H-indol-2-yl)-1-(2H-isoindol-1-yl)isoquinoline
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3-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpyridine
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4-[3-(1-adamantyl)-3-(furan-2-yl)-2-pyridin-2-yl-4-(1H-pyrrol-2-yl)-2-thiophen-2-ylpiperidin-1-yl]morpholine
CID 140983712

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The IUPAC name of benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene (CID 158007994) is benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene.
What is the SMILES notation for benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The canonical SMILES for benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene is C(#Cc1ccccc1)c1ccccc1.C(=Cc1ccccc1)c1ccccc1.c1ccc(-c2ccc[nH]2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.c1coc(-c2ccncc2)c1.
What is the InChIKey of benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
The InChIKey is FENKGSQHBRIZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C14H12.C14H10.2C13H12.C12H10O.C10H9N.C10H8O.C10H8S.C9H7NO/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3*1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-9(11-7-1)8-3-5-10-6-4-8/h1-14H;1-12H;1-10H;2*1-10H,11H2;1-10H;1-8,11H;2*1-8H;1-7H.
What are the key properties of benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene?
benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene has a molecular weight of 1712.27 g/mol, XLogP of 34.02, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;4-(furan-2-yl)pyridine;1-naphthalen-1-ylnaphthalene;phenoxybenzene;2-phenylethynylbenzene;2-phenylfuran;2-phenyl-1H-pyrrole;2-phenylthiophene;stilbene is sourced from PubChem (CID 158007994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).