5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine

C37H36N2O4 — CID 175342328

IUPAC5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine
SMILESNc1c(N)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1c(c(CC3CO3)c(CC3CO3)c(CC3CO3)c1CC1CO1)C2
InChIInChI=1S/C37H36N2O4/c38-36-33(21-9-5-2-6-10-21)32(20-7-3-1-4-8-20)31-15-30-28(13-24-18-42-24)26(11-22-16-40-22)27(12-23-17-41-23)29(14-25-19-43-25)34(30)35(31)37(36)39/h1-10,22-25H,11-19,38-39H2
InChIKeyOHEGPHJHSXNMBR-UHFFFAOYSA-N
MW572.71 g/mol
LogP5.52
Rot. Bonds10

About 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine

5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine (PubChem CID 175342328) has the molecular formula C37H36N2O4 and a molecular weight of 572.71 g/mol. Its IUPAC name is 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine.

Molecular Properties

Compound Name5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine
PubChem CID175342328
Molecular FormulaC37H36N2O4
Molecular Weight572.71 g/mol
Exact Mass572.27
IUPAC Name5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine
SMILESNc1c(N)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1c(c(CC3CO3)c(CC3CO3)c(CC3CO3)c1CC1CO1)C2
InChIInChI=1S/C37H36N2O4/c38-36-33(21-9-5-2-6-10-21)32(20-7-3-1-4-8-20)31-15-30-28(13-24-18-42-24)26(11-22-16-40-22)27(12-23-17-41-23)29(14-25-19-43-25)34(30)35(31)37(36)39/h1-10,22-25H,11-19,38-39H2
InChIKeyOHEGPHJHSXNMBR-UHFFFAOYSA-N
XLogP5.52
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine?
The IUPAC name of 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine (CID 175342328) is 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine.
What is the SMILES notation for 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine?
The canonical SMILES for 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine is Nc1c(N)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1c(c(CC3CO3)c(CC3CO3)c(CC3CO3)c1CC1CO1)C2.
What is the InChIKey of 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine?
The InChIKey is OHEGPHJHSXNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O4/c38-36-33(21-9-5-2-6-10-21)32(20-7-3-1-4-8-20)31-15-30-28(13-24-18-42-24)26(11-22-16-40-22)27(12-23-17-41-23)29(14-25-19-43-25)34(30)35(31)37(36)39/h1-10,22-25H,11-19,38-39H2.
What are the key properties of 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine?
5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine has a molecular weight of 572.71 g/mol, XLogP of 5.52, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrakis(oxiran-2-ylmethyl)-1,2-diphenyl-9H-fluorene-3,4-diamine is sourced from PubChem (CID 175342328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).