N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine

C42H26N2O2S — CID 163990891

IUPACN-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(N(c2cc3ccccc3o2)c2cc3ccccc3o2)c2ccccc12
InChIInChI=1S/C42H26N2O2S/c1-9-21-35-27(13-1)25-39(45-35)44(40-26-28-14-2-10-22-36(28)46-40)42-31-17-5-3-15-29(31)41(30-16-4-6-18-32(30)42)43-33-19-7-11-23-37(33)47-38-24-12-8-20-34(38)43/h1-26H
InChIKeyUANIDHLJJNXROB-UHFFFAOYSA-N
MW622.75 g/mol
LogP12.89
Rot. Bonds4

About N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine

N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine (PubChem CID 163990891) has the molecular formula C42H26N2O2S and a molecular weight of 622.75 g/mol. Its IUPAC name is N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine
PubChem CID163990891
Molecular FormulaC42H26N2O2S
Molecular Weight622.75 g/mol
Exact Mass622.17
IUPAC NameN-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(N(c2cc3ccccc3o2)c2cc3ccccc3o2)c2ccccc12
InChIInChI=1S/C42H26N2O2S/c1-9-21-35-27(13-1)25-39(45-35)44(40-26-28-14-2-10-22-36(28)46-40)42-31-17-5-3-15-29(31)41(30-16-4-6-18-32(30)42)43-33-19-7-11-23-37(33)47-38-24-12-8-20-34(38)43/h1-26H
InChIKeyUANIDHLJJNXROB-UHFFFAOYSA-N
XLogP12.89
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.75
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine?
The IUPAC name of N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine (CID 163990891) is N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine.
What is the SMILES notation for N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine?
The canonical SMILES for N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine is c1ccc2c(c1)Sc1ccccc1N2c1c2ccccc2c(N(c2cc3ccccc3o2)c2cc3ccccc3o2)c2ccccc12.
What is the InChIKey of N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine?
The InChIKey is UANIDHLJJNXROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O2S/c1-9-21-35-27(13-1)25-39(45-35)44(40-26-28-14-2-10-22-36(28)46-40)42-31-17-5-3-15-29(31)41(30-16-4-6-18-32(30)42)43-33-19-7-11-23-37(33)47-38-24-12-8-20-34(38)43/h1-26H.
What are the key properties of N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine?
N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine has a molecular weight of 622.75 g/mol, XLogP of 12.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-yl)-N-(10-phenothiazin-10-ylanthracen-9-yl)-1-benzofuran-2-amine is sourced from PubChem (CID 163990891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).