benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole

C129H171IN10O9 — CID 159929353

About benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole

benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole (PubChem CID 159929353) has the molecular formula C129H171IN10O9 and a molecular weight of 2132.75 g/mol. Its IUPAC name is benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole.

Molecular Properties

• Compound Name: benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole
• PubChem CID: 159929353
• Molecular Formula: C129H171IN10O9
• Molecular Weight: 2132.75 g/mol
• Exact Mass: 2131.23
• IUPAC Name: benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole
• SMILES: C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc(OC)cc1.COc1ccc(Cn2nc(C(O)c3ccccc3)c3ccccc32)cc1.COc1ccc(Cn2nc(C)c3ccccc32)cc1.Cc1[nH]nc2ccccc12.Cc1ccc(I)cc1.O=C(O)c1ccc(-n2nc(C(=O)c3ccccc3)c3ccccc32)cc1.O=C(c1ccccc1)c1n[nH]c2ccccc12.O=Cc1ccccc1
• InChI: InChI=1S/C22H20N2O2.C21H14N2O3.C16H16N2O.C14H10N2O.C9H12O.C8H8N2.C7H7I.C7H6O.11C2H6.3CH4/c1-26-18-13-11-16(12-14-18)15-24-20-10-6-5-9-19(20)21(23-24)22(25)17-7-3-2-4-8-17;24-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)23(22-19)16-12-10-15(11-13-16)21(25)26;1-12-15-5-3-4-6-16(15)18(17-12)11-13-7-9-14(19-2)10-8-13;17-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)15-16-13;1-3-8-4-6-9(10-2)7-5-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-4-7(8)5-3-6;8-6-7-4-2-1-3-5-7;11*1-2;;;/h2-14,22,25H,15H2,1H3;1-13H,(H,25,26);3-10H,11H2,1-2H3;1-9H,(H,15,16);4-7H,3H2,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;1-6H;11*1-2H3;3*1H4
• InChIKey: NZLAJRDIQYOIAZ-UHFFFAOYSA-N
• XLogP: 35.75
• TPSA: 247.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.75
LogP ≤ 5	35.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole?

The IUPAC name of benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole (CID 159929353) is benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole.

What is the SMILES notation for benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole?

The canonical SMILES for benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCc1ccc(OC)cc1.COc1ccc(Cn2nc(C(O)c3ccccc3)c3ccccc32)cc1.COc1ccc(Cn2nc(C)c3ccccc32)cc1.Cc1[nH]nc2ccccc12.Cc1ccc(I)cc1.O=C(O)c1ccc(-n2nc(C(=O)c3ccccc3)c3ccccc32)cc1.O=C(c1ccccc1)c1n[nH]c2ccccc12.O=Cc1ccccc1.

What is the InChIKey of benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole?

The InChIKey is NZLAJRDIQYOIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2.C21H14N2O3.C16H16N2O.C14H10N2O.C9H12O.C8H8N2.C7H7I.C7H6O.11C2H6.3CH4/c1-26-18-13-11-16(12-14-18)15-24-20-10-6-5-9-19(20)21(23-24)22(25)17-7-3-2-4-8-17;24-20(14-6-2-1-3-7-14)19-17-8-4-5-9-18(17)23(22-19)16-12-10-15(11-13-16)21(25)26;1-12-15-5-3-4-6-16(15)18(17-12)11-13-7-9-14(19-2)10-8-13;17-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)15-16-13;1-3-8-4-6-9(10-2)7-5-8;1-6-7-4-2-3-5-8(7)10-9-6;1-6-2-4-7(8)5-3-6;8-6-7-4-2-1-3-5-7;11*1-2;;;/h2-14,22,25H,15H2,1H3;1-13H,(H,25,26);3-10H,11H2,1-2H3;1-9H,(H,15,16);4-7H,3H2,1-2H3;2-5H,1H3,(H,9,10);2-5H,1H3;1-6H;11*1-2H3;3*1H4.

What are the key properties of benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole?

benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole has a molecular weight of 2132.75 g/mol, XLogP of 35.75, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzaldehyde;4-(3-benzoylindazol-1-yl)benzoic acid;ethane;1-ethyl-4-methoxybenzene;1H-indazol-3-yl(phenyl)methanone;1-iodo-4-methylbenzene;methane;[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-phenylmethanol;1-[(4-methoxyphenyl)methyl]-3-methylindazole;3-methyl-2H-indazole is sourced from PubChem (CID 159929353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).