N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine

C41H24N2OS2 — CID 163557559

IUPACN-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cncc5sc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc12
InChIInChI=1S/C41H24N2OS2/c1-4-10-35-29(7-1)30-19-17-28(22-36(30)44-35)43(27-18-20-39-33(21-27)31-8-2-5-11-37(31)45-39)26-15-13-25(14-16-26)34-23-42-24-40-41(34)32-9-3-6-12-38(32)46-40/h1-24H
InChIKeyFOKRVJZMEYPIGN-UHFFFAOYSA-N
MW624.79 g/mol
LogP12.85
Rot. Bonds4

About N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine

N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine (PubChem CID 163557559) has the molecular formula C41H24N2OS2 and a molecular weight of 624.79 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine
PubChem CID163557559
Molecular FormulaC41H24N2OS2
Molecular Weight624.79 g/mol
Exact Mass624.13
IUPAC NameN-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)oc1cc(N(c3ccc(-c4cncc5sc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc12
InChIInChI=1S/C41H24N2OS2/c1-4-10-35-29(7-1)30-19-17-28(22-36(30)44-35)43(27-18-20-39-33(21-27)31-8-2-5-11-37(31)45-39)26-15-13-25(14-16-26)34-23-42-24-40-41(34)32-9-3-6-12-38(32)46-40/h1-24H
InChIKeyFOKRVJZMEYPIGN-UHFFFAOYSA-N
XLogP12.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-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-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzofuran-3-yl-N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)phenyl]dibenzofuran-3-amine
CID 153300507
2-N-dibenzofuran-3-yl-7-N-dibenzothiophen-2-yl-2-N,7-N-diphenyldibenzothiophene-2,7-diamine;7-N-dibenzothiophen-2-yl-2-N,2-N-diphenyl-7-N-(4-pyridin-3-ylphenyl)dibenzothiophene-2,7-diamine;2-N,2-N-di(dibenzofuran-2-yl)-7-N,7-N-diphenyldibenzothiophene-2,7-diamine
CID 157139341
1-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170050952
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-3-amine
CID 171411740
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
N-phenyl-N-[4-[8-(N-[6-[4-(N-phenylanilino)phenyl]dibenzothiophen-2-yl]anilino)dibenzothiophen-4-yl]phenyl]dibenzofuran-3-amine
CID 129194386

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine?
The IUPAC name of N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine (CID 163557559) is N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine is c1ccc2c(c1)oc1cc(N(c3ccc(-c4cncc5sc6ccccc6c45)cc3)c3ccc4sc5ccccc5c4c3)ccc12.
What is the InChIKey of N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine?
The InChIKey is FOKRVJZMEYPIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2OS2/c1-4-10-35-29(7-1)30-19-17-28(22-36(30)44-35)43(27-18-20-39-33(21-27)31-8-2-5-11-37(31)45-39)26-15-13-25(14-16-26)34-23-42-24-40-41(34)32-9-3-6-12-38(32)46-40/h1-24H.
What are the key properties of N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine?
N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine has a molecular weight of 624.79 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[2,3-c]pyridin-4-yl)phenyl]-N-dibenzothiophen-2-yldibenzofuran-3-amine is sourced from PubChem (CID 163557559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).