N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine

C36H22FNOS — CID 163746061

IUPACN-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C36H22FNOS/c37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38(30-10-6-14-34-35(30)29-8-2-4-13-33(29)40-34)31-11-5-9-28-27-7-1-3-12-32(27)39-36(28)31/h1-22H
InChIKeyYXMGZELKVCHADM-UHFFFAOYSA-N
MW535.64 g/mol
LogP11.23
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine

N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine (PubChem CID 163746061) has the molecular formula C36H22FNOS and a molecular weight of 535.64 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine
PubChem CID163746061
Molecular FormulaC36H22FNOS
Molecular Weight535.64 g/mol
Exact Mass535.14
IUPAC NameN-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine
SMILESFc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C36H22FNOS/c37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38(30-10-6-14-34-35(30)29-8-2-4-13-33(29)40-34)31-11-5-9-28-27-7-1-3-12-32(27)39-36(28)31/h1-22H
InChIKeyYXMGZELKVCHADM-UHFFFAOYSA-N
XLogP11.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.64
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
2-N-dibenzothiophen-1-yl-2-N-phenyl-4-N,4-N-bis(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 170044035
N-dibenzofuran-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-4-amine
CID 164988843
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-dibenzothiophen-1-yldibenzofuran-4-amine
CID 167322750
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 170040170
N-(6-tert-butyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163507001
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
N-dibenzothiophen-1-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-3-amine
CID 163564489

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine (CID 163746061) is N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine is Fc1ccc(-c2ccc(N(c3cccc4c3oc3ccccc34)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is YXMGZELKVCHADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FNOS/c37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38(30-10-6-14-34-35(30)29-8-2-4-13-33(29)40-34)31-11-5-9-28-27-7-1-3-12-32(27)39-36(28)31/h1-22H.
What are the key properties of N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 535.64 g/mol, XLogP of 11.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-[4-(4-fluorophenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 163746061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).