2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)

C183H158F6N10O4 — CID 157108999

About 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)

2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole) (PubChem CID 157108999) has the molecular formula C183H158F6N10O4 and a molecular weight of 2675.33 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole).

Molecular Properties

• Compound Name: 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)
• PubChem CID: 157108999
• Molecular Formula: C183H158F6N10O4
• Molecular Weight: 2675.33 g/mol
• Exact Mass: 2673.24
• IUPAC Name: 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)
• SMILES: C1=CC(c2cc3ccccc3[nH]2)=CC1.CCCC/C=C/c1cc2ccccc2[nH]1.CCCCCc1cc2ccccc2[nH]1.COc1ccc(-n2c(-c3ccc(C)cc3)cc3ccccc32)cc1OC.Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12.Cc1ccccc1-n1c(-c2ccccc2)c(C)c2ccccc21.Fc1cccc2[nH]c(-c3ccccc3)cc12.Fc1ccccc1-c1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1.c1ccc(COc2ccc3[nH]c(-c4ccccc4)cc3c2)cc1.c1ccc(COc2ccc3[nH]c(-c4ccccc4)cc3c2)cc1
• InChI: InChI=1S/C23H21NO2.C22H19N.C21H13F4N.C21H16FN.2C21H17NO.C14H10FN.C14H17N.C13H11N.C13H17N/c1-16-8-10-17(11-9-16)21-14-18-6-4-5-7-20(18)24(21)19-12-13-22(25-2)23(15-19)26-3;1-16-10-6-8-14-20(16)23-21-15-9-7-13-19(21)17(2)22(23)18-11-4-3-5-12-18;22-18-7-3-2-6-17(18)20-13-14-5-1-4-8-19(14)26(20)16-11-9-15(10-12-16)21(23,24)25;1-15-19-9-5-6-10-20(19)23(18-13-11-17(22)12-14-18)21(15)16-7-3-2-4-8-16;2*1-3-7-16(8-4-1)15-23-19-11-12-20-18(13-19)14-21(22-20)17-9-5-2-6-10-17;15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10;1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13;1-2-6-10(5-1)13-9-11-7-3-4-8-12(11)14-13;1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h4-15H,1-3H3;3-15H,1-2H3;1-13H;2-14H,1H3;2*1-14,22H,15H2;1-9,16H;5-11,15H,2-4H2,1H3;1,3-9,14H,2H2;5-7,9-10,14H,2-4,8H2,1H3/b;;;;;;;9-5+
• InChIKey: AGPZMHKJAOEUHQ-ZMWKAYADSA-N
• XLogP: 50.32
• TPSA: 151.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.33
LogP ≤ 5	50.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)?

The IUPAC name of 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole) (CID 157108999) is 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole).

What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)?

The canonical SMILES for 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole) is C1=CC(c2cc3ccccc3[nH]2)=CC1.CCCC/C=C/c1cc2ccccc2[nH]1.CCCCCc1cc2ccccc2[nH]1.COc1ccc(-n2c(-c3ccc(C)cc3)cc3ccccc32)cc1OC.Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12.Cc1ccccc1-n1c(-c2ccccc2)c(C)c2ccccc21.Fc1cccc2[nH]c(-c3ccccc3)cc12.Fc1ccccc1-c1cc2ccccc2n1-c1ccc(C(F)(F)F)cc1.c1ccc(COc2ccc3[nH]c(-c4ccccc4)cc3c2)cc1.c1ccc(COc2ccc3[nH]c(-c4ccccc4)cc3c2)cc1.

What is the InChIKey of 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)?

The InChIKey is AGPZMHKJAOEUHQ-ZMWKAYADSA-N. The full InChI is InChI=1S/C23H21NO2.C22H19N.C21H13F4N.C21H16FN.2C21H17NO.C14H10FN.C14H17N.C13H11N.C13H17N/c1-16-8-10-17(11-9-16)21-14-18-6-4-5-7-20(18)24(21)19-12-13-22(25-2)23(15-19)26-3;1-16-10-6-8-14-20(16)23-21-15-9-7-13-19(21)17(2)22(23)18-11-4-3-5-12-18;22-18-7-3-2-6-17(18)20-13-14-5-1-4-8-19(14)26(20)16-11-9-15(10-12-16)21(23,24)25;1-15-19-9-5-6-10-20(19)23(18-13-11-17(22)12-14-18)21(15)16-7-3-2-4-8-16;2*1-3-7-16(8-4-1)15-23-19-11-12-20-18(13-19)14-21(22-20)17-9-5-2-6-10-17;15-12-7-4-8-13-11(12)9-14(16-13)10-5-2-1-3-6-10;1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13;1-2-6-10(5-1)13-9-11-7-3-4-8-12(11)14-13;1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h4-15H,1-3H3;3-15H,1-2H3;1-13H;2-14H,1H3;2*1-14,22H,15H2;1-9,16H;5-11,15H,2-4H2,1H3;1,3-9,14H,2H2;5-7,9-10,14H,2-4,8H2,1H3/b;;;;;;;9-5+;;.

What are the key properties of 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole)?

2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole) has a molecular weight of 2675.33 g/mol, XLogP of 50.32, 28 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopenta-1,4-dien-1-yl-1H-indole;1-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)indole;4-fluoro-2-phenyl-1H-indole;1-(4-fluorophenyl)-3-methyl-2-phenylindole;2-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]indole;2-[(E)-hex-1-enyl]-1H-indole;3-methyl-1-(2-methylphenyl)-2-phenylindole;2-pentyl-1H-indole;bis(2-phenyl-5-phenylmethoxy-1H-indole) is sourced from PubChem (CID 157108999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).