N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine

C52H33NOS — CID 167325008

IUPACN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-16-40-35(12-1)13-10-20-41(40)36-28-26-34(27-29-36)37-14-9-15-39(32-37)53(48-23-11-21-45-43-18-4-7-24-49(43)54-52(45)48)47-22-6-3-17-42(47)38-30-31-51-46(33-38)44-19-5-8-25-50(44)55-51/h1-33H
InChIKeyNRPWXBLXAMUKKC-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine

N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 167325008) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID167325008
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-16-40-35(12-1)13-10-20-41(40)36-28-26-34(27-29-36)37-14-9-15-39(32-37)53(48-23-11-21-45-43-18-4-7-24-49(43)54-52(45)48)47-22-6-3-17-42(47)38-30-31-51-46(33-38)44-19-5-8-25-50(44)55-51/h1-33H
InChIKeyNRPWXBLXAMUKKC-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
2-dibenzothiophen-2-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324684
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397233
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine (CID 167325008) is N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(N(c2ccccc2-c2ccc3sc4ccccc4c3c2)c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is NRPWXBLXAMUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-16-40-35(12-1)13-10-20-41(40)36-28-26-34(27-29-36)37-14-9-15-39(32-37)53(48-23-11-21-45-43-18-4-7-24-49(43)54-52(45)48)47-22-6-3-17-42(47)38-30-31-51-46(33-38)44-19-5-8-25-50(44)55-51/h1-33H.
What are the key properties of N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine?
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 167325008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).