1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)

C125H161N11O — CID 162295658

IUPAC1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)
SMILESCc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2c(ccn2C)C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCC2.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCCC2.Cc1ccccc1N1C(C)c2occc2C12CCCC2
InChIInChI=1S/C24H30N2.2C22H30N2.C20H26N2.C19H24N2.C18H21NO/c1-15-6-4-5-7-22(15)26-16(2)23-21(8-9-25(23)3)24(26)19-11-17-10-18(13-19)14-20(24)12-17;2*1-14-10-9-11-16-18(14)24-15(2)19-17(12-13-23(19)8)22(24,7)21(5,6)20(16,3)4;1-15-9-5-6-10-18(15)22-16(2)19-17(11-14-21(19)3)20(22)12-7-4-8-13-20;1-14-8-4-5-9-17(14)21-15(2)18-16(10-13-20(18)3)19(21)11-6-7-12-19;1-13-7-3-4-8-16(13)19-14(2)17-15(9-12-20-17)18(19)10-5-6-11-18/h4-9,16-20H,10-14H2,1-3H3;2*9-13,15H,1-8H3;5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3;4-5,8-10,13,15H,6-7,11-12H2,1-3H3;3-4,7-9,12,14H,5-6,10-11H2,1-2H3
InChIKeyPLELQACDHKIQIC-UHFFFAOYSA-N
MW1833.74 g/mol
LogP31.16
Rot. Bonds4

About 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)

1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) (PubChem CID 162295658) has the molecular formula C125H161N11O and a molecular weight of 1833.74 g/mol. Its IUPAC name is 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene).

Molecular Properties

Compound Name1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)
PubChem CID162295658
Molecular FormulaC125H161N11O
Molecular Weight1833.74 g/mol
Exact Mass1832.29
IUPAC Name1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)
SMILESCc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2c(ccn2C)C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCC2.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCCC2.Cc1ccccc1N1C(C)c2occc2C12CCCC2
InChIInChI=1S/C24H30N2.2C22H30N2.C20H26N2.C19H24N2.C18H21NO/c1-15-6-4-5-7-22(15)26-16(2)23-21(8-9-25(23)3)24(26)19-11-17-10-18(13-19)14-20(24)12-17;2*1-14-10-9-11-16-18(14)24-15(2)19-17(12-13-23(19)8)22(24,7)21(5,6)20(16,3)4;1-15-9-5-6-10-18(15)22-16(2)19-17(11-14-21(19)3)20(22)12-7-4-8-13-20;1-14-8-4-5-9-17(14)21-15(2)18-16(10-13-20(18)3)19(21)11-6-7-12-19;1-13-7-3-4-8-16(13)19-14(2)17-15(9-12-20-17)18(19)10-5-6-11-18/h4-9,16-20H,10-14H2,1-3H3;2*9-13,15H,1-8H3;5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3;4-5,8-10,13,15H,6-7,11-12H2,1-3H3;3-4,7-9,12,14H,5-6,10-11H2,1-2H3
InChIKeyPLELQACDHKIQIC-UHFFFAOYSA-N
XLogP31.16
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.74
LogP ≤ 531.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)?
The IUPAC name of 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) (CID 162295658) is 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene).
What is the SMILES notation for 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)?
The canonical SMILES for 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) is Cc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1cccc2c1N1C(C)c3c(ccn3C)C1(C)C(C)(C)C2(C)C.Cc1ccccc1N1C(C)c2c(ccn2C)C12C1CC3CC(C1)CC2C3.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCC2.Cc1ccccc1N1C(C)c2c(ccn2C)C12CCCCC2.Cc1ccccc1N1C(C)c2occc2C12CCCC2.
What is the InChIKey of 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)?
The InChIKey is PLELQACDHKIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2.2C22H30N2.C20H26N2.C19H24N2.C18H21NO/c1-15-6-4-5-7-22(15)26-16(2)23-21(8-9-25(23)3)24(26)19-11-17-10-18(13-19)14-20(24)12-17;2*1-14-10-9-11-16-18(14)24-15(2)19-17(12-13-23(19)8)22(24,7)21(5,6)20(16,3)4;1-15-9-5-6-10-18(15)22-16(2)19-17(11-14-21(19)3)20(22)12-7-4-8-13-20;1-14-8-4-5-9-17(14)21-15(2)18-16(10-13-20(18)3)19(21)11-6-7-12-19;1-13-7-3-4-8-16(13)19-14(2)17-15(9-12-20-17)18(19)10-5-6-11-18/h4-9,16-20H,10-14H2,1-3H3;2*9-13,15H,1-8H3;5-6,9-11,14,16H,4,7-8,12-13H2,1-3H3;4-5,8-10,13,15H,6-7,11-12H2,1-3H3;3-4,7-9,12,14H,5-6,10-11H2,1-2H3.
What are the key properties of 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene)?
1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) has a molecular weight of 1833.74 g/mol, XLogP of 31.16, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,2'-adamantane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclohexane];1,6-dimethyl-5-(2-methylphenyl)spiro[6H-pyrrolo[2,3-c]pyrrole-4,1'-cyclopentane];6-methyl-5-(2-methylphenyl)spiro[6H-furo[2,3-c]pyrrole-4,1'-cyclopentane];bis(3,8,8,9,9,10,14,16-octamethyl-1,14-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,11(15),12-pentaene) is sourced from PubChem (CID 162295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).