N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine

C42H27NOS — CID 171435319

IUPACN-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-17-7-10-20-36(31)43(30-23-26-39-35(27-30)33-18-8-11-21-38(33)44-39)37-25-24-32(29-15-5-2-6-16-29)41-34-19-9-12-22-40(34)45-42(37)41/h1-27H
InChIKeyCSEMOFHFDHINCN-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine

N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 171435319) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID171435319
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1
InChIInChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-17-7-10-20-36(31)43(30-23-26-39-35(27-30)33-18-8-11-21-38(33)44-39)37-25-24-32(29-15-5-2-6-16-29)41-34-19-9-12-22-40(34)45-42(37)41/h1-27H
InChIKeyCSEMOFHFDHINCN-UHFFFAOYSA-N
XLogP12.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.75
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
N-(4-dibenzothiophen-1-ylphenyl)-1-phenyl-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 171434825
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-dibenzothiophen-4-yl-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-2-amine
CID 167236480
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
N-dibenzothiophen-4-yl-N-[2-[3-(2-phenyl-N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167086793

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 171435319) is N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc3oc4ccccc4c3c2)c2ccc(-c3ccccc3)c3c2sc2ccccc23)cc1.
What is the InChIKey of N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is CSEMOFHFDHINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-13-28(14-4-1)31-17-7-10-20-36(31)43(30-23-26-39-35(27-30)33-18-8-11-21-38(33)44-39)37-25-24-32(29-15-5-2-6-16-29)41-34-19-9-12-22-40(34)45-42(37)41/h1-27H.
What are the key properties of N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 593.75 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 171435319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).