N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C41H26N2OS — CID 168738270

IUPACN-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccnc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-9-27(10-3-1)28-17-21-30(22-18-28)43(36-14-8-13-34-33-11-4-6-15-37(33)44-40(34)36)31-23-19-29(20-24-31)32-25-26-42-39-35-12-5-7-16-38(35)45-41(32)39/h1-26H
InChIKeyTYXRVXGFYMKILT-UHFFFAOYSA-N
MW594.74 g/mol
LogP12.15
Rot. Bonds5

About N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 168738270) has the molecular formula C41H26N2OS and a molecular weight of 594.74 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID168738270
Molecular FormulaC41H26N2OS
Molecular Weight594.74 g/mol
Exact Mass594.18
IUPAC NameN-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccnc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C41H26N2OS/c1-2-9-27(10-3-1)28-17-21-30(22-18-28)43(36-14-8-13-34-33-11-4-6-15-37(33)44-40(34)36)31-23-19-29(20-24-31)32-25-26-42-39-35-12-5-7-16-38(35)45-41(32)39/h1-26H
InChIKeyTYXRVXGFYMKILT-UHFFFAOYSA-N
XLogP12.15
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.74
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501986
N-(4-phenylphenyl)-N-(28-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-yl)dibenzofuran-4-amine
CID 130464753
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]pyridin-4-amine
CID 166861417
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166861967
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-4-amine
CID 166860859

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 168738270) is N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccnc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is TYXRVXGFYMKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2OS/c1-2-9-27(10-3-1)28-17-21-30(22-18-28)43(36-14-8-13-34-33-11-4-6-15-37(33)44-40(34)36)31-23-19-29(20-24-31)32-25-26-42-39-35-12-5-7-16-38(35)45-41(32)39/h1-26H.
What are the key properties of N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 594.74 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[3,2-b]pyridin-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 168738270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).