bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

C33H40N4O5 — CID 59238973

IUPACbis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCCN(CC)CC)cc5c4cc3c2c1
InChIInChI=1S/C33H40N4O5/c1-6-36(7-2)14-16-41-32(38)21-10-12-27-23(18-21)25-20-26-24-19-22(33(39)42-17-15-37(8-3)9-4)11-13-28(24)35-30(26)31(40-5)29(25)34-27/h10-13,18-20,34-35H,6-9,14-17H2,1-5H3
InChIKeyNMQLHZYOUZUMST-UHFFFAOYSA-N
MW572.71 g/mol
LogP5.96
Rot. Bonds13

About bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate

bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (PubChem CID 59238973) has the molecular formula C33H40N4O5 and a molecular weight of 572.71 g/mol. Its IUPAC name is bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.

Molecular Properties

Compound Namebis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
PubChem CID59238973
Molecular FormulaC33H40N4O5
Molecular Weight572.71 g/mol
Exact Mass572.30
IUPAC Namebis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCCN(CC)CC)cc5c4cc3c2c1
InChIInChI=1S/C33H40N4O5/c1-6-36(7-2)14-16-41-32(38)21-10-12-27-23(18-21)25-20-26-24-19-22(33(39)42-17-15-37(8-3)9-4)11-13-28(24)35-30(26)31(40-5)29(25)34-27/h10-13,18-20,34-35H,6-9,14-17H2,1-5H3
InChIKeyNMQLHZYOUZUMST-UHFFFAOYSA-N
XLogP5.96
TPSA99.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The IUPAC name of bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate (CID 59238973) is bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate.
What is the SMILES notation for bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The canonical SMILES for bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is CCN(CC)CCOC(=O)c1ccc2[nH]c3c(OC)c4[nH]c5ccc(C(=O)OCCN(CC)CC)cc5c4cc3c2c1.
What is the InChIKey of bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
The InChIKey is NMQLHZYOUZUMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O5/c1-6-36(7-2)14-16-41-32(38)21-10-12-27-23(18-21)25-20-26-24-19-22(33(39)42-17-15-37(8-3)9-4)11-13-28(24)35-30(26)31(40-5)29(25)34-27/h10-13,18-20,34-35H,6-9,14-17H2,1-5H3.
What are the key properties of bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate?
bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate has a molecular weight of 572.71 g/mol, XLogP of 5.96, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(diethylamino)ethyl] 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate is sourced from PubChem (CID 59238973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).