N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine

C38H26N2S2 — CID 134845676

IUPACN-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(cc2N=C(c2ccccc2)c2ccccc2)Sc2ccccc2S3)c2ccccc2)cc1
InChIInChI=1S/C38H26N2S2/c1-5-15-27(16-6-1)37(28-17-7-2-8-18-28)39-31-25-35-36(42-34-24-14-13-23-33(34)41-35)26-32(31)40-38(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyVDLHDBBBJXQMJE-UHFFFAOYSA-N
MW574.77 g/mol
LogP10.64
Rot. Bonds6

About N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine

N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine (PubChem CID 134845676) has the molecular formula C38H26N2S2 and a molecular weight of 574.77 g/mol. Its IUPAC name is N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
PubChem CID134845676
Molecular FormulaC38H26N2S2
Molecular Weight574.77 g/mol
Exact Mass574.15
IUPAC NameN-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
SMILESc1ccc(C(=Nc2cc3c(cc2N=C(c2ccccc2)c2ccccc2)Sc2ccccc2S3)c2ccccc2)cc1
InChIInChI=1S/C38H26N2S2/c1-5-15-27(16-6-1)37(28-17-7-2-8-18-28)39-31-25-35-36(42-34-24-14-13-23-33(34)41-35)26-32(31)40-38(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H
InChIKeyVDLHDBBBJXQMJE-UHFFFAOYSA-N
XLogP10.64
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine (CID 134845676) is N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine is c1ccc(C(=Nc2cc3c(cc2N=C(c2ccccc2)c2ccccc2)Sc2ccccc2S3)c2ccccc2)cc1.
What is the InChIKey of N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine?
The InChIKey is VDLHDBBBJXQMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2S2/c1-5-15-27(16-6-1)37(28-17-7-2-8-18-28)39-31-25-35-36(42-34-24-14-13-23-33(34)41-35)26-32(31)40-38(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-26H.
What are the key properties of N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine?
N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine has a molecular weight of 574.77 g/mol, XLogP of 10.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 134845676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).