N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

C32H19NOS — CID 166918071

IUPACN-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc2cc3c(cc2c1)oc1ccc(Nc2ccc4sc5cc6ccccc6cc5c4c2)cc13
InChIInChI=1S/C32H19NOS/c1-3-7-21-15-30-25(13-19(21)5-1)26-17-23(9-11-29(26)34-30)33-24-10-12-31-28(18-24)27-14-20-6-2-4-8-22(20)16-32(27)35-31/h1-18,33H
InChIKeyYOZKXWCFMLWTJD-UHFFFAOYSA-N
MW465.58 g/mol
LogP10.00
Rot. Bonds2

About N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine

N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (PubChem CID 166918071) has the molecular formula C32H19NOS and a molecular weight of 465.58 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
PubChem CID166918071
Molecular FormulaC32H19NOS
Molecular Weight465.58 g/mol
Exact Mass465.12
IUPAC NameN-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine
SMILESc1ccc2cc3c(cc2c1)oc1ccc(Nc2ccc4sc5cc6ccccc6cc5c4c2)cc13
InChIInChI=1S/C32H19NOS/c1-3-7-21-15-30-25(13-19(21)5-1)26-17-23(9-11-29(26)34-30)33-24-10-12-31-28(18-24)27-14-20-6-2-4-8-22(20)16-32(27)35-31/h1-18,33H
InChIKeyYOZKXWCFMLWTJD-UHFFFAOYSA-N
XLogP10.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.58
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-2-amine;N-(4-methoxyphenyl)-4-phenylaniline;N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 158168846
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025
8-N-dibenzothiophen-3-yl-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 129194325
20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 163891654
N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
2-[10-[10-(21-thiaheptacyclo[16.11.0.02,11.04,9.012,17.020,28.022,27]nonacosa-1(29),2,4,6,8,10,12,14,16,18,20(28),22(27),23,25-tetradecaen-25-yl)anthracen-9-yl]anthracen-9-yl]dibenzofuran
CID 154595828
2-(10-naphtho[2,3-b][1]benzothiol-3-ylanthracen-9-yl)dibenzofuran
CID 118503667
2-(10-phenanthren-3-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 158713118
2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 163634293
18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130190577

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine (CID 166918071) is N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is c1ccc2cc3c(cc2c1)oc1ccc(Nc2ccc4sc5cc6ccccc6cc5c4c2)cc13.
What is the InChIKey of N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
The InChIKey is YOZKXWCFMLWTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NOS/c1-3-7-21-15-30-25(13-19(21)5-1)26-17-23(9-11-29(26)34-30)33-24-10-12-31-28(18-24)27-14-20-6-2-4-8-22(20)16-32(27)35-31/h1-18,33H.
What are the key properties of N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine?
N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine has a molecular weight of 465.58 g/mol, XLogP of 10.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,3-b][1]benzothiol-2-ylnaphtho[2,3-b][1]benzofuran-2-amine is sourced from PubChem (CID 166918071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).