1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole

C90H98N6O3 — CID 158308233

IUPAC1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
SMILESCc1c(-c2c(C(C)C)cccc2C(C)C)c2ccccc2n1C.Cc1c(-c2ccccc2)c2ccccc2n1C.Cc1c(C(C)C)c2ccccc2n1C.Cc1c(C)n(C)c2c1oc1ccccc12.Cc1c(C)n(C)c2oc3ccccc3c12.Cc1c2oc3ccccc3c2c(C)n1C
InChIInChI=1S/C22H27N.C16H15N.3C13H13NO.C13H17N/c1-14(2)17-11-9-12-18(15(3)4)22(17)21-16(5)23(6)20-13-8-7-10-19(20)21;1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2;1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3;1-8-9(2)14(3)12-10-6-4-5-7-11(10)15-13(8)12;1-8-9(2)14(3)13-12(8)10-6-4-5-7-11(10)15-13;1-9(2)13-10(3)14(4)12-8-6-5-7-11(12)13/h7-15H,1-6H3;3-11H,1-2H3;3*4-7H,1-3H3;5-9H,1-4H3
InChIKeyGNIYKEUHSQLMOK-UHFFFAOYSA-N
MW1311.81 g/mol
LogP24.79
Rot. Bonds5

About 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole

1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole (PubChem CID 158308233) has the molecular formula C90H98N6O3 and a molecular weight of 1311.81 g/mol. Its IUPAC name is 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
PubChem CID158308233
Molecular FormulaC90H98N6O3
Molecular Weight1311.81 g/mol
Exact Mass1310.77
IUPAC Name1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
SMILESCc1c(-c2c(C(C)C)cccc2C(C)C)c2ccccc2n1C.Cc1c(-c2ccccc2)c2ccccc2n1C.Cc1c(C(C)C)c2ccccc2n1C.Cc1c(C)n(C)c2c1oc1ccccc12.Cc1c(C)n(C)c2oc3ccccc3c12.Cc1c2oc3ccccc3c2c(C)n1C
InChIInChI=1S/C22H27N.C16H15N.3C13H13NO.C13H17N/c1-14(2)17-11-9-12-18(15(3)4)22(17)21-16(5)23(6)20-13-8-7-10-19(20)21;1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2;1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3;1-8-9(2)14(3)12-10-6-4-5-7-11(10)15-13(8)12;1-8-9(2)14(3)13-12(8)10-6-4-5-7-11(10)15-13;1-9(2)13-10(3)14(4)12-8-6-5-7-11(12)13/h7-15H,1-6H3;3-11H,1-2H3;3*4-7H,1-3H3;5-9H,1-4H3
InChIKeyGNIYKEUHSQLMOK-UHFFFAOYSA-N
XLogP24.79
TPSA69.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.81
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole with MolForge

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Related Compounds

1,2-dimethyl-3-phenyl-[1]benzofuro[3,2-b]pyrrole
CID 157483251
1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole
CID 158099360
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
11-methyl-6-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027972
2,3-dimethyl-[1]benzofuro[2,3-b]pyrrol-1-amine
CID 130322183
1,2-dimethyl-[1]benzofuro[3,2-b]pyrrol-3-amine
CID 130322219
5-methyl-4-propan-2-yl-[1]benzofuro[3,2-c]carbazole
CID 169028023
14-[2,6-di(propan-2-yl)phenyl]-13-phenyl-8,10-dioxa-12,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaene
CID 153300418
1-methyl-2-(1,1,4,4,5-pentamethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran-6-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-1-ium
CID 176822722
ethane;1-propan-2-yldibenzofuran
CID 142343182
1,4-dimethyl-3-propan-2-yldibenzofuran
CID 144782637
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The IUPAC name of 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole (CID 158308233) is 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole.
What is the SMILES notation for 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The canonical SMILES for 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole is Cc1c(-c2c(C(C)C)cccc2C(C)C)c2ccccc2n1C.Cc1c(-c2ccccc2)c2ccccc2n1C.Cc1c(C(C)C)c2ccccc2n1C.Cc1c(C)n(C)c2c1oc1ccccc12.Cc1c(C)n(C)c2oc3ccccc3c12.Cc1c2oc3ccccc3c2c(C)n1C.
What is the InChIKey of 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
The InChIKey is GNIYKEUHSQLMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N.C16H15N.3C13H13NO.C13H17N/c1-14(2)17-11-9-12-18(15(3)4)22(17)21-16(5)23(6)20-13-8-7-10-19(20)21;1-12-16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17(12)2;1-8-12-10-6-4-5-7-11(10)15-13(12)9(2)14(8)3;1-8-9(2)14(3)12-10-6-4-5-7-11(10)15-13(8)12;1-8-9(2)14(3)13-12(8)10-6-4-5-7-11(10)15-13;1-9(2)13-10(3)14(4)12-8-6-5-7-11(12)13/h7-15H,1-6H3;3-11H,1-2H3;3*4-7H,1-3H3;5-9H,1-4H3.
What are the key properties of 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole?
1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole has a molecular weight of 1311.81 g/mol, XLogP of 24.79, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-phenylindole;1,2-dimethyl-3-propan-2-ylindole;3-[2,6-di(propan-2-yl)phenyl]-1,2-dimethylindole;1,2,3-trimethyl-[1]benzofuro[2,3-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[3,2-b]pyrrole;1,2,3-trimethyl-[1]benzofuro[2,3-c]pyrrole is sourced from PubChem (CID 158308233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).