N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine

C43H25FN2S — CID 89296837

IUPACN-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H25FN2S/c44-30-12-16-32(17-13-30)46(33-18-20-36-35-5-1-2-6-39(35)47-40(36)25-33)31-14-9-26(10-15-31)34-19-11-27-7-8-28-24-29-4-3-23-45-43(29)38-22-21-37(34)41(27)42(28)38/h1-25H
InChIKeyRIQCWDKFZURYSU-UHFFFAOYSA-N
MW620.75 g/mol
LogP12.78
Rot. Bonds4

About N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine

N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine (PubChem CID 89296837) has the molecular formula C43H25FN2S and a molecular weight of 620.75 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
PubChem CID89296837
Molecular FormulaC43H25FN2S
Molecular Weight620.75 g/mol
Exact Mass620.17
IUPAC NameN-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine
SMILESFc1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C43H25FN2S/c44-30-12-16-32(17-13-30)46(33-18-20-36-35-5-1-2-6-39(35)47-40(36)25-33)31-14-9-26(10-15-31)34-19-11-27-7-8-28-24-29-4-3-23-45-43(29)38-22-21-37(34)41(27)42(28)38/h1-25H
InChIKeyRIQCWDKFZURYSU-UHFFFAOYSA-N
XLogP12.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.75
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-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

N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-quinolin-4-ylbutane-1,4-diamine
CID 137631689
N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-quinolin-4-ylpropane-1,3-diamine
CID 145973006
N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-quinolin-4-ylhexane-1,6-diamine
CID 137635208
1-N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-1-N-methyl-4-N-quinolin-4-ylpentane-1,4-diamine
CID 137642762
N'-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-methyl-N-quinolin-4-ylbutane-1,4-diamine
CID 137649446
2-(5,8-Dimethylphenanthridin-5-ium-2-yl)-1,3-benzothiazole chloride
CID 164616310
2-(5,9-Dimethylphenanthridin-5-ium-2-yl)-1,3-benzothiazole chloride
CID 164619334
[1]Benzothieno[2,3-c]naphtho[1,2-f]quinoline
CID 1779953
12-Methylthio-7-(3-pyridyl)acenaphtho[1,2-g]chinoline
CID 15349689
Thieno[2,3-f]quinoline
CID 14086596
Benzothiophenoquinoline
CID 57972383
5-Thiophen-2-ylbenzo[f]quinoline
CID 132529339

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine (CID 89296837) is N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine is Fc1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is RIQCWDKFZURYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25FN2S/c44-30-12-16-32(17-13-30)46(33-18-20-36-35-5-1-2-6-39(35)47-40(36)25-33)31-14-9-26(10-15-31)34-19-11-27-7-8-28-24-29-4-3-23-45-43(29)38-22-21-37(34)41(27)42(28)38/h1-25H.
What are the key properties of N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine?
N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 620.75 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 89296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).