N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

C52H33NOS — CID 129085301

IUPACN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-11-24-49(43)54-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-12-25-50(44)55-51/h1-33H
InChIKeyZPLJYGUNOMPIIO-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine

N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (PubChem CID 129085301) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
PubChem CID129085301
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H33NOS/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-11-24-49(43)54-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-12-25-50(44)55-51/h1-33H
InChIKeyZPLJYGUNOMPIIO-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-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(3-dibenzothiophen-3-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzothiophen-3-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine;N-(3-dibenzothiophen-2-yl-5-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 159977870
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
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-(1-phenyldibenzothiophen-4-yl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435266
N-(3-dibenzothiophen-2-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397233
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-dibenzofuran-4-yl-N-[3-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-4-amine
CID 164965115
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine (CID 129085301) is N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
The InChIKey is ZPLJYGUNOMPIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-14-34(15-4-1)37-30-38(35-16-5-2-6-17-35)32-39(31-37)53(48-23-13-22-45-43-20-9-11-24-49(43)54-52(45)48)47-28-27-40(41-18-7-8-19-42(41)47)36-26-29-51-46(33-36)44-21-10-12-25-50(44)55-51/h1-33H.
What are the key properties of N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)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-(4-dibenzothiophen-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 129085301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).