9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one

C37H38N6O2 — CID 46782240

IUPAC9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCc1nccn1CC1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CCC(Cn5ccnc5C)C4=O)ccc3n2C)C1=O
InChIInChI=1S/C37H38N6O2/c1-22-38-13-15-42(22)20-26-7-11-32-34(36(26)44)28-18-24(5-9-30(28)40(32)3)17-25-6-10-31-29(19-25)35-33(41(31)4)12-8-27(37(35)45)21-43-16-14-39-23(43)2/h5-6,9-10,13-16,18-19,26-27H,7-8,11-12,17,20-21H2,1-4H3
InChIKeyJTVFJNKLNVONRS-UHFFFAOYSA-N
MW598.75 g/mol
LogP6.16
Rot. Bonds6

About 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one

9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 46782240) has the molecular formula C37H38N6O2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID46782240
Molecular FormulaC37H38N6O2
Molecular Weight598.75 g/mol
Exact Mass598.31
IUPAC Name9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCc1nccn1CC1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CCC(Cn5ccnc5C)C4=O)ccc3n2C)C1=O
InChIInChI=1S/C37H38N6O2/c1-22-38-13-15-42(22)20-26-7-11-32-34(36(26)44)28-18-24(5-9-30(28)40(32)3)17-25-6-10-31-29(19-25)35-33(41(31)4)12-8-27(37(35)45)21-43-16-14-39-23(43)2/h5-6,9-10,13-16,18-19,26-27H,7-8,11-12,17,20-21H2,1-4H3
InChIKeyJTVFJNKLNVONRS-UHFFFAOYSA-N
XLogP6.16
TPSA79.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one (CID 46782240) is 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one is Cc1nccn1CC1CCc2c(c3cc(Cc4ccc5c(c4)c4c(n5C)CCC(Cn5ccnc5C)C4=O)ccc3n2C)C1=O.
What is the InChIKey of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is JTVFJNKLNVONRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N6O2/c1-22-38-13-15-42(22)20-26-7-11-32-34(36(26)44)28-18-24(5-9-30(28)40(32)3)17-25-6-10-31-29(19-25)35-33(41(31)4)12-8-27(37(35)45)21-43-16-14-39-23(43)2/h5-6,9-10,13-16,18-19,26-27H,7-8,11-12,17,20-21H2,1-4H3.
What are the key properties of 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one?
9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 598.75 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-6-[[9-methyl-6-[(2-methylimidazol-1-yl)methyl]-5-oxo-7,8-dihydro-6H-carbazol-3-yl]methyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 46782240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).