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

C46H29NOS — CID 171435150

IUPACN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-13-30(14-4-1)33-24-26-40(36-18-8-7-17-35(33)36)47(32-23-28-43-39(29-32)37-19-9-11-21-42(37)48-43)41-27-25-34(31-15-5-2-6-16-31)45-38-20-10-12-22-44(38)49-46(41)45/h1-29H
InChIKeyJUHZSUGACJCWOM-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine (PubChem CID 171435150) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
PubChem CID171435150
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H29NOS/c1-3-13-30(14-4-1)33-24-26-40(36-18-8-7-17-35(33)36)47(32-23-28-43-39(29-32)37-19-9-11-21-42(37)48-43)41-27-25-34(31-15-5-2-6-16-31)45-38-20-10-12-22-44(38)49-46(41)45/h1-29H
InChIKeyJUHZSUGACJCWOM-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenyldibenzothiophen-4-yl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 171435319
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 171435226
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 171435113
N-(4-dibenzofuran-1-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 171435301
N-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
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-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396270
1-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 168804602
N-dibenzothiophen-2-yl-N,1-diphenyldibenzothiophen-4-amine
CID 171435230
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-4-yldibenzofuran-2-amine
CID 170040658

Frequently Asked Questions

What is the IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine?
The IUPAC name of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine (CID 171435150) is N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc(-c4ccccc4)c4c3sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine?
The InChIKey is JUHZSUGACJCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-3-13-30(14-4-1)33-24-26-40(36-18-8-7-17-35(33)36)47(32-23-28-43-39(29-32)37-19-9-11-21-42(37)48-43)41-27-25-34(31-15-5-2-6-16-31)45-38-20-10-12-22-44(38)49-46(41)45/h1-29H.
What are the key properties of N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine?
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 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-phenylnaphthalen-1-yl)dibenzofuran-2-amine is sourced from PubChem (CID 171435150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).