N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine

C28H18FNS — CID 90263557

IUPACN-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESFc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1
InChIInChI=1S/C28H18FNS/c29-20-11-13-22(14-12-20)30(21-7-2-1-3-8-21)23-15-16-25-27(18-23)31-26-17-10-19-6-4-5-9-24(19)28(25)26/h1-18H
InChIKeyBDNMLHVJWSGHII-UHFFFAOYSA-N
MW419.52 g/mol
LogP8.82
Rot. Bonds3

About N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine

N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine (PubChem CID 90263557) has the molecular formula C28H18FNS and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
PubChem CID90263557
Molecular FormulaC28H18FNS
Molecular Weight419.52 g/mol
Exact Mass419.11
IUPAC NameN-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
SMILESFc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1
InChIInChI=1S/C28H18FNS/c29-20-11-13-22(14-12-20)30(21-7-2-1-3-8-21)23-15-16-25-27(18-23)31-26-17-10-19-6-4-5-9-24(19)28(25)26/h1-18H
InChIKeyBDNMLHVJWSGHII-UHFFFAOYSA-N
XLogP8.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-benzo[g]phenanthren-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167182764
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine
CID 167184091
4-(N-naphtho[2,1-b][1]benzothiol-9-ylanilino)benzonitrile
CID 90266675
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
6-N,6-N,20-N,20-N-tetraphenyl-9,17-dithiahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18(23),19,21-undecaene-6,20-diamine
CID 163713903
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
N,N-dinaphthalen-1-ylnaphtho[2,1-b][1]benzothiol-9-amine
CID 170272731
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N,N-diphenyl-22-thiahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine
CID 164721928
N-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-2-amine
CID 170037216

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The IUPAC name of N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine (CID 90263557) is N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine is Fc1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc4ccccc4c23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
The InChIKey is BDNMLHVJWSGHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FNS/c29-20-11-13-22(14-12-20)30(21-7-2-1-3-8-21)23-15-16-25-27(18-23)31-26-17-10-19-6-4-5-9-24(19)28(25)26/h1-18H.
What are the key properties of N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine?
N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine has a molecular weight of 419.52 g/mol, XLogP of 8.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-9-amine is sourced from PubChem (CID 90263557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).