1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine

C28H38N4O4 — CID 4186256

IUPAC1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine
SMILESCc1c(NNc2cc3c(c([N+](=O)[O-])c2C)C(C)(C)CC3(C)C)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C
InChIInChI=1S/C28H38N4O4/c1-15-19(11-17-21(23(15)31(33)34)27(7,8)13-25(17,3)4)29-30-20-12-18-22(24(16(20)2)32(35)36)28(9,10)14-26(18,5)6/h11-12,29-30H,13-14H2,1-10H3
InChIKeyGASHFJPFYIRMMP-UHFFFAOYSA-N
MW494.64 g/mol
LogP7.48
Rot. Bonds5

About 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine

1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine (PubChem CID 4186256) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine
PubChem CID4186256
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine
SMILESCc1c(NNc2cc3c(c([N+](=O)[O-])c2C)C(C)(C)CC3(C)C)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C
InChIInChI=1S/C28H38N4O4/c1-15-19(11-17-21(23(15)31(33)34)27(7,8)13-25(17,3)4)29-30-20-12-18-22(24(16(20)2)32(35)36)28(9,10)14-26(18,5)6/h11-12,29-30H,13-14H2,1-10H3
InChIKeyGASHFJPFYIRMMP-UHFFFAOYSA-N
XLogP7.48
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine?
The IUPAC name of 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine (CID 4186256) is 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine.
What is the SMILES notation for 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine?
The canonical SMILES for 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine is Cc1c(NNc2cc3c(c([N+](=O)[O-])c2C)C(C)(C)CC3(C)C)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C.
What is the InChIKey of 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine?
The InChIKey is GASHFJPFYIRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-15-19(11-17-21(23(15)31(33)34)27(7,8)13-25(17,3)4)29-30-20-12-18-22(24(16(20)2)32(35)36)28(9,10)14-26(18,5)6/h11-12,29-30H,13-14H2,1-10H3.
What are the key properties of 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine?
1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine has a molecular weight of 494.64 g/mol, XLogP of 7.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)hydrazine is sourced from PubChem (CID 4186256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).