1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole

C22H18N4O4 — CID 134924795

IUPAC1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
SMILESCc1cc([N+](=O)[O-])c(C)c2c1[nH]c1cc3c(cc12)[nH]c1c(C)cc([N+](=O)[O-])c(C)c13
InChIInChI=1S/C22H18N4O4/c1-9-5-17(25(27)28)11(3)19-13-7-16-14(8-15(13)23-21(9)19)20-12(4)18(26(29)30)6-10(2)22(20)24-16/h5-8,23-24H,1-4H3
InChIKeyQLEHZDVXJYUATP-UHFFFAOYSA-N
MW402.41 g/mol
LogP6.01
Rot. Bonds2

About 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole

1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole (PubChem CID 134924795) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
PubChem CID134924795
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole
SMILESCc1cc([N+](=O)[O-])c(C)c2c1[nH]c1cc3c(cc12)[nH]c1c(C)cc([N+](=O)[O-])c(C)c13
InChIInChI=1S/C22H18N4O4/c1-9-5-17(25(27)28)11(3)19-13-7-16-14(8-15(13)23-21(9)19)20-12(4)18(26(29)30)6-10(2)22(20)24-16/h5-8,23-24H,1-4H3
InChIKeyQLEHZDVXJYUATP-UHFFFAOYSA-N
XLogP6.01
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.41
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole (CID 134924795) is 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole is Cc1cc([N+](=O)[O-])c(C)c2c1[nH]c1cc3c(cc12)[nH]c1c(C)cc([N+](=O)[O-])c(C)c13.
What is the InChIKey of 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole?
The InChIKey is QLEHZDVXJYUATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-9-5-17(25(27)28)11(3)19-13-7-16-14(8-15(13)23-21(9)19)20-12(4)18(26(29)30)6-10(2)22(20)24-16/h5-8,23-24H,1-4H3.
What are the key properties of 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole?
1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole has a molecular weight of 402.41 g/mol, XLogP of 6.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetramethyl-2,8-dinitro-5,11-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 134924795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).