N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C42H27NOS — CID 171434983

IUPACN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43(32-23-24-35-34-15-7-9-17-38(34)44-39(35)27-32)37-26-25-33(30-13-5-2-6-14-30)41-36-16-8-10-18-40(36)45-42(37)41/h1-27H
InChIKeyPILRGQBSFNVEIU-UHFFFAOYSA-N
MW593.75 g/mol
LogP12.76
Rot. Bonds5

About N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 171434983) has the molecular formula C42H27NOS and a molecular weight of 593.75 g/mol. Its IUPAC name is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID171434983
Molecular FormulaC42H27NOS
Molecular Weight593.75 g/mol
Exact Mass593.18
IUPAC NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C42H27NOS/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43(32-23-24-35-34-15-7-9-17-38(34)44-39(35)27-32)37-26-25-33(30-13-5-2-6-14-30)41-36-16-8-10-18-40(36)45-42(37)41/h1-27H
InChIKeyPILRGQBSFNVEIU-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-(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-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 171435150
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-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113
N-(4-dibenzofuran-4-ylphenyl)-N-(3,5-diphenylphenyl)-1-phenyldibenzothiophen-4-amine
CID 171434894
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 171434983) is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4ccccc4)c4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is PILRGQBSFNVEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NOS/c1-3-11-28(12-4-1)29-19-21-31(22-20-29)43(32-23-24-35-34-15-7-9-17-38(34)44-39(35)27-32)37-26-25-33(30-13-5-2-6-14-30)41-36-16-8-10-18-40(36)45-42(37)41/h1-27H.
What are the key properties of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-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-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 171434983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).