N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine

C32H21NS — CID 90263592

IUPACN-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C32H21NS/c1-2-11-25(12-3-1)33(26-16-14-22-8-4-5-10-24(22)20-26)27-17-19-30-29(21-27)32-28-13-7-6-9-23(28)15-18-31(32)34-30/h1-21H
InChIKeyGEKFCBQQZNJZJA-UHFFFAOYSA-N
MW451.59 g/mol
LogP9.83
Rot. Bonds3

About N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine

N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine (PubChem CID 90263592) has the molecular formula C32H21NS and a molecular weight of 451.59 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
PubChem CID90263592
Molecular FormulaC32H21NS
Molecular Weight451.59 g/mol
Exact Mass451.14
IUPAC NameN-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C32H21NS/c1-2-11-25(12-3-1)33(26-16-14-22-8-4-5-10-24(22)20-26)27-17-19-30-29(21-27)32-28-13-7-6-9-23(28)15-18-31(32)34-30/h1-21H
InChIKeyGEKFCBQQZNJZJA-UHFFFAOYSA-N
XLogP9.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.59
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 170038744
N-naphtho[2,1-b][1]benzothiol-10-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-10-amine
CID 118616579
N-phenyl-N-(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 90263586
N-chrysen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170140492
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
N-(4-isocyanophenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 123973582
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170037227
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-(3-naphtho[2,1-b][1]benzothiol-10-ylphenyl)-N,8-diphenyldibenzothiophen-2-amine
CID 170050563
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
CID 170044237
N-benzo[g]phenanthren-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 167183406

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine (CID 90263592) is N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine is c1ccc(N(c2ccc3ccccc3c2)c2ccc3sc4ccc5ccccc5c4c3c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine?
The InChIKey is GEKFCBQQZNJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NS/c1-2-11-25(12-3-1)33(26-16-14-22-8-4-5-10-24(22)20-26)27-17-19-30-29(21-27)32-28-13-7-6-9-23(28)15-18-31(32)34-30/h1-21H.
What are the key properties of N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine?
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine has a molecular weight of 451.59 g/mol, XLogP of 9.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine is sourced from PubChem (CID 90263592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).