N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine

C43H26N2S — CID 166862094

IUPACN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine
SMILESc1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cnc5sc6ccccc6c5c4)cc-2c13
InChIInChI=1S/C43H26N2S/c1-2-9-29-22-30(17-16-27(29)8-1)28-18-20-32(21-19-28)45(34-25-40-37-13-5-6-15-41(37)46-43(40)44-26-34)33-23-31-10-7-14-38-35-11-3-4-12-36(35)39(24-33)42(31)38/h1-26H
InChIKeyPAWABIHIQCKKPZ-UHFFFAOYSA-N
MW602.76 g/mol
LogP12.54
Rot. Bonds4

About N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine

N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine (PubChem CID 166862094) has the molecular formula C43H26N2S and a molecular weight of 602.76 g/mol. Its IUPAC name is N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine
PubChem CID166862094
Molecular FormulaC43H26N2S
Molecular Weight602.76 g/mol
Exact Mass602.18
IUPAC NameN-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine
SMILESc1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cnc5sc6ccccc6c5c4)cc-2c13
InChIInChI=1S/C43H26N2S/c1-2-9-29-22-30(17-16-27(29)8-1)28-18-20-32(21-19-28)45(34-25-40-37-13-5-6-15-41(37)46-43(40)44-26-34)33-23-31-10-7-14-38-35-11-3-4-12-36(35)39(24-33)42(31)38/h1-26H
InChIKeyPAWABIHIQCKKPZ-UHFFFAOYSA-N
XLogP12.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-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-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 167413102
N-(4-chrysen-6-ylphenyl)-N-phenyl-[1]benzothiolo[2,3-b]pyridin-3-amine
CID 163842398
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-2-amine
CID 174256490
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 154960998
4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 162263920
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166565819
N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 118405870
N-(3,5-diphenylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-2-amine
CID 166566179
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 168737841
N-(4-naphthalen-2-ylphenyl)-N-phenyl-9-(4-phenylnaphthalen-1-yl)dibenzothiophen-2-amine
CID 166055489

Frequently Asked Questions

What is the IUPAC name of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine?
The IUPAC name of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine (CID 166862094) is N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine is c1ccc2c(c1)-c1cccc3cc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cnc5sc6ccccc6c5c4)cc-2c13.
What is the InChIKey of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine?
The InChIKey is PAWABIHIQCKKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2S/c1-2-9-29-22-30(17-16-27(29)8-1)28-18-20-32(21-19-28)45(34-25-40-37-13-5-6-15-41(37)46-43(40)44-26-34)33-23-31-10-7-14-38-35-11-3-4-12-36(35)39(24-33)42(31)38/h1-26H.
What are the key properties of N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine?
N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine has a molecular weight of 602.76 g/mol, XLogP of 12.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoranthen-2-yl-N-(4-naphthalen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 166862094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).