N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine

C32H18FNS2 — CID 176881547

IUPACN-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine
SMILESFc1ccc2ccc3c(N(c4cc5ccccc5s4)c4cc5ccccc5s4)ccc4ccc1c2c43
InChIInChI=1S/C32H18FNS2/c33-25-15-11-19-10-14-24-26(16-12-20-9-13-23(25)31(19)32(20)24)34(29-17-21-5-1-3-7-27(21)35-29)30-18-22-6-2-4-8-28(22)36-30/h1-18H
InChIKeyOGVTZGZOCVBYCF-UHFFFAOYSA-N
MW499.64 g/mol
LogP10.62
Rot. Bonds3

About N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine

N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine (PubChem CID 176881547) has the molecular formula C32H18FNS2 and a molecular weight of 499.64 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine
PubChem CID176881547
Molecular FormulaC32H18FNS2
Molecular Weight499.64 g/mol
Exact Mass499.09
IUPAC NameN-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine
SMILESFc1ccc2ccc3c(N(c4cc5ccccc5s4)c4cc5ccccc5s4)ccc4ccc1c2c43
InChIInChI=1S/C32H18FNS2/c33-25-15-11-19-10-14-24-26(16-12-20-9-13-23(25)31(19)32(20)24)34(29-17-21-5-1-3-7-27(21)35-29)30-18-22-6-2-4-8-28(22)36-30/h1-18H
InChIKeyOGVTZGZOCVBYCF-UHFFFAOYSA-N
XLogP10.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-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

Related Compounds

6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
CID 176881362
N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
CID 176881700
N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
CID 176881180
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
1,4-difluorobenzo[c]phenanthrene
CID 14938397
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
5-(N-[6-(N-(3-cyano-4-fluorophenyl)anilino)pyren-1-yl]anilino)-2-fluorobenzonitrile
CID 72534390
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;1-N,6-N-di(dibenzothiophen-2-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 165046461
1-N,6-N-bis(2,6-difluoro-4-phenylphenyl)-1-N,6-N-bis(4-fluorophenyl)pyrene-1,6-diamine
CID 58099460
3,8-difluoro-1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 176881708

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine (CID 176881547) is N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine is Fc1ccc2ccc3c(N(c4cc5ccccc5s4)c4cc5ccccc5s4)ccc4ccc1c2c43.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine?
The InChIKey is OGVTZGZOCVBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18FNS2/c33-25-15-11-19-10-14-24-26(16-12-20-9-13-23(25)31(19)32(20)24)34(29-17-21-5-1-3-7-27(21)35-29)30-18-22-6-2-4-8-28(22)36-30/h1-18H.
What are the key properties of N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine?
N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine has a molecular weight of 499.64 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine is sourced from PubChem (CID 176881547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).