1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole

C99H77N5O4 — CID 158484305

IUPAC1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole
SMILES[H][H].[H][H].c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc3ccccc3[nH]2)cc1.c1ccc(-c2ccc(-c3ccccc3)o2)cc1.c1ccc(-c2cnc(-c3ccccc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N.C20H14O.C16H12O.C15H11NO.C14H10N2O.C14H11N.2H2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;;/h1-14,21H;1-14H;1-12H;1-11H;1-10H;1-10,15H;2*1H
InChIKeyHHXBPFNMAGGXNI-UHFFFAOYSA-N
MW1400.74 g/mol
LogP27.62
Rot. Bonds11

About 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole

1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole (PubChem CID 158484305) has the molecular formula C99H77N5O4 and a molecular weight of 1400.74 g/mol. Its IUPAC name is 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole.

Molecular Properties

Compound Name1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole
PubChem CID158484305
Molecular FormulaC99H77N5O4
Molecular Weight1400.74 g/mol
Exact Mass1399.60
IUPAC Name1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole
SMILES[H][H].[H][H].c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc3ccccc3[nH]2)cc1.c1ccc(-c2ccc(-c3ccccc3)o2)cc1.c1ccc(-c2cnc(-c3ccccc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N.C20H14O.C16H12O.C15H11NO.C14H10N2O.C14H11N.2H2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;;/h1-14,21H;1-14H;1-12H;1-11H;1-10H;1-10,15H;2*1H
InChIKeyHHXBPFNMAGGXNI-UHFFFAOYSA-N
XLogP27.62
TPSA122.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001400.74
LogP ≤ 527.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
2-[2-(1H-indol-3-yl)ethyl]-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 126495177
4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495180
4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495181
4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495182
4-[3-chloro-5-[2-fluoro-5-[4-(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazol-5-yl]phenyl]phenyl]-5-(3-chlorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
CID 126495244
2-[3-(1H-indol-3-yl)propyl]-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 126495260
4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-[1-[4-[2-[2-(1H-indol-3-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]phenyl]ethyl]phenyl]-1,3-oxazol-4-yl]phenol
CID 145233742
ethane;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2R,4S)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2R,4S)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172983
ethane;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentan-1-amine;[(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-3-methylpentyl]-dimethylazanium;(1S,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,N,3-trimethylpentan-1-amine;(2R)-1-(1H-indol-3-yl)propan-2-amine;(2S,4R)-N-[1-(1H-indol-3-yl)propan-2-yl]-4-methyl-2-(methylamino)hexanamide;methane;(2S,4R)-4-methyl-2-(methylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 157172984
4,5-bis(2-fluorophenyl)-2-(1H-indol-3-ylmethyl)-1,3-oxazole;[4-[5-[4-(hydroxymethyl)phenyl]-2-(1H-indol-3-ylmethyl)-1,3-oxazol-4-yl]phenyl]methanol;2-(1H-indol-3-ylmethyl)-4,5-bis(3-methylphenyl)-1,3-oxazole;bis(2-(1H-indol-3-ylmethyl)-4,5-bis(4-methylphenyl)-1,3-oxazole);2-(1H-indol-3-ylmethyl)-4,5-bis[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 158159842
3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
CID 167702930

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole?
The IUPAC name of 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole (CID 158484305) is 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole.
What is the SMILES notation for 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole?
The canonical SMILES for 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole is [H][H].[H][H].c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2cc3ccccc3[nH]2)cc1.c1ccc(-c2ccc(-c3ccccc3)o2)cc1.c1ccc(-c2cnc(-c3ccccc3)o2)cc1.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole?
The InChIKey is HHXBPFNMAGGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N.C20H14O.C16H12O.C15H11NO.C14H10N2O.C14H11N.2H2/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16;1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14;1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14;;/h1-14,21H;1-14H;1-12H;1-11H;1-10H;1-10,15H;2*1H.
What are the key properties of 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole?
1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole has a molecular weight of 1400.74 g/mol, XLogP of 27.62, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2-benzofuran;2,5-diphenylfuran;2,3-diphenyl-1H-indole;2,5-diphenyl-1,3,4-oxadiazole;2,5-diphenyl-1,3-oxazole;molecular hydrogen;2-phenyl-1H-indole is sourced from PubChem (CID 158484305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).