N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine

C40H25NOS — CID 163499042

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C40H25NOS/c1-2-13-28-26(11-1)12-9-19-35(28)41(36-20-10-17-33-30-15-4-7-21-37(30)42-40(33)36)34-18-6-3-14-29(34)27-23-24-32-31-16-5-8-22-38(31)43-39(32)25-27/h1-25H
InChIKeyCTDKESAKCWYMIA-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine

N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine (PubChem CID 163499042) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
PubChem CID163499042
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C40H25NOS/c1-2-13-28-26(11-1)12-9-19-35(28)41(36-20-10-17-33-30-15-4-7-21-37(30)42-40(33)36)34-18-6-3-14-29(34)27-23-24-32-31-16-5-8-22-38(31)43-39(32)25-27/h1-25H
InChIKeyCTDKESAKCWYMIA-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325488
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
N-dibenzothiophen-3-yl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 140943740
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738791
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine (CID 163499042) is N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine is c1ccc(N(c2cccc3ccccc23)c2cccc3c2oc2ccccc23)c(-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine?
The InChIKey is CTDKESAKCWYMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-13-28-26(11-1)12-9-19-35(28)41(36-20-10-17-33-30-15-4-7-21-37(30)42-40(33)36)34-18-6-3-14-29(34)27-23-24-32-31-16-5-8-22-38(31)43-39(32)25-27/h1-25H.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine is sourced from PubChem (CID 163499042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).