1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine

C35H26N4 — CID 4075236

IUPAC1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine
SMILESc1ccc(C(=NN=C2CC(=NN=C(c3ccccc3)c3ccccc3)c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C35H26N4/c1-5-15-26(16-6-1)34(27-17-7-2-8-18-27)38-36-32-25-33(31-24-14-13-23-30(31)32)37-39-35(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H,25H2
InChIKeyDWPHRMDTEUWWMN-UHFFFAOYSA-N
MW502.62 g/mol
LogP7.57
Rot. Bonds6

About 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine

1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine (PubChem CID 4075236) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine
PubChem CID4075236
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine
SMILESc1ccc(C(=NN=C2CC(=NN=C(c3ccccc3)c3ccccc3)c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C35H26N4/c1-5-15-26(16-6-1)34(27-17-7-2-8-18-27)38-36-32-25-33(31-24-14-13-23-30(31)32)37-39-35(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H,25H2
InChIKeyDWPHRMDTEUWWMN-UHFFFAOYSA-N
XLogP7.57
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine?
The IUPAC name of 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine (CID 4075236) is 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine.
What is the SMILES notation for 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine?
The canonical SMILES for 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine is c1ccc(C(=NN=C2CC(=NN=C(c3ccccc3)c3ccccc3)c3ccccc32)c2ccccc2)cc1.
What is the InChIKey of 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine?
The InChIKey is DWPHRMDTEUWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4/c1-5-15-26(16-6-1)34(27-17-7-2-8-18-27)38-36-32-25-33(31-24-14-13-23-30(31)32)37-39-35(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H,25H2.
What are the key properties of 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine?
1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine has a molecular weight of 502.62 g/mol, XLogP of 7.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(benzhydrylideneamino)indene-1,3-diimine is sourced from PubChem (CID 4075236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).