N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine

C34H20FNOS — CID 90263488

IUPACN-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine
SMILESFc1ccc(N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C34H20FNOS/c35-21-16-18-22(19-17-21)36(29-13-7-12-26-24-9-3-5-14-31(24)37-33(26)29)30-20-28-25-10-4-6-15-32(25)38-34(28)27-11-2-1-8-23(27)30/h1-20H
InChIKeyILGUHABGWKJCEX-UHFFFAOYSA-N
MW509.61 g/mol
LogP10.72
Rot. Bonds3

About N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine

N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine (PubChem CID 90263488) has the molecular formula C34H20FNOS and a molecular weight of 509.61 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine
PubChem CID90263488
Molecular FormulaC34H20FNOS
Molecular Weight509.61 g/mol
Exact Mass509.12
IUPAC NameN-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine
SMILESFc1ccc(N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C34H20FNOS/c35-21-16-18-22(19-17-21)36(29-13-7-12-26-24-9-3-5-14-31(24)37-33(26)29)30-20-28-25-10-4-6-15-32(25)38-34(28)27-11-2-1-8-23(27)30/h1-20H
InChIKeyILGUHABGWKJCEX-UHFFFAOYSA-N
XLogP10.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine?
The IUPAC name of N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine (CID 90263488) is N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine is Fc1ccc(N(c2cc3c4ccccc4sc3c3ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine?
The InChIKey is ILGUHABGWKJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20FNOS/c35-21-16-18-22(19-17-21)36(29-13-7-12-26-24-9-3-5-14-31(24)37-33(26)29)30-20-28-25-10-4-6-15-32(25)38-34(28)27-11-2-1-8-23(27)30/h1-20H.
What are the key properties of N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine?
N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine has a molecular weight of 509.61 g/mol, XLogP of 10.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-4-amine is sourced from PubChem (CID 90263488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).