N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine

C46H29NOS — CID 170665599

IUPACN-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2N(c2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NOS/c1-2-12-31(13-3-1)46-36(33-22-25-38-37-15-6-8-19-42(37)48-43(38)28-33)17-10-18-41(46)47(34-23-21-30-11-4-5-14-32(30)27-34)35-24-26-45-40(29-35)39-16-7-9-20-44(39)49-45/h1-29H
InChIKeyIABGTAZOKJPLLT-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine

N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine (PubChem CID 170665599) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
PubChem CID170665599
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
SMILESc1ccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2N(c2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C46H29NOS/c1-2-12-31(13-3-1)46-36(33-22-25-38-37-15-6-8-19-42(37)48-43(38)28-33)17-10-18-41(46)47(34-23-21-30-11-4-5-14-32(30)27-34)35-24-26-45-40(29-35)39-16-7-9-20-44(39)49-45/h1-29H
InChIKeyIABGTAZOKJPLLT-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

3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-dibenzothiophen-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167235675
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049326
N-dibenzothiophen-2-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 170779146

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine (CID 170665599) is N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine is c1ccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2N(c2ccc3ccccc3c2)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine?
The InChIKey is IABGTAZOKJPLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-12-31(13-3-1)46-36(33-22-25-38-37-15-6-8-19-42(37)48-43(38)28-33)17-10-18-41(46)47(34-23-21-30-11-4-5-14-32(30)27-34)35-24-26-45-40(29-35)39-16-7-9-20-44(39)49-45/h1-29H.
What are the key properties of N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine?
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-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-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 170665599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).