N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine

C108H72N4S4 — CID 158828181

IUPACN-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc4c(c3)sc3ccc5ccccc5c34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(Nc3ccc4sc5ccc6ccccc6c5c4c3)cc2)cc1.c1ccc(Nc2ccc3sc4ccc5ccccc5c4c3c2)cc1.c1ccc2c(Nc3ccc4sc5ccc6ccccc6c5c4c3)cccc2c1
InChIInChI=1S/C32H21NS.C28H19NS.C26H17NS.C22H15NS/c1-2-8-21(9-3-1)24-17-18-29(27-13-7-6-12-26(24)27)33-23-15-16-28-31(20-23)34-30-19-14-22-10-4-5-11-25(22)32(28)30;1-2-6-19(7-3-1)20-10-13-22(14-11-20)29-23-15-17-26-25(18-23)28-24-9-5-4-8-21(24)12-16-27(28)30-26;1-3-9-20-17(6-1)8-5-11-23(20)27-19-13-15-24-22(16-19)26-21-10-4-2-7-18(21)12-14-25(26)28-24;1-2-7-16(8-3-1)23-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)24-20/h1-20,33H;1-18,29H;1-16,27H;1-14,23H/i1D,2D,3D,8D,9D;;;
InChIKeyIWSBOWPEMVOEHU-VXSOBXMZSA-N
MW1559.09 g/mol
LogP33.45
Rot. Bonds10

About N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine

N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine (PubChem CID 158828181) has the molecular formula C108H72N4S4 and a molecular weight of 1559.09 g/mol. Its IUPAC name is N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine.

Molecular Properties

Compound NameN-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
PubChem CID158828181
Molecular FormulaC108H72N4S4
Molecular Weight1559.09 g/mol
Exact Mass1557.50
IUPAC NameN-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc4c(c3)sc3ccc5ccccc5c34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(Nc3ccc4sc5ccc6ccccc6c5c4c3)cc2)cc1.c1ccc(Nc2ccc3sc4ccc5ccccc5c4c3c2)cc1.c1ccc2c(Nc3ccc4sc5ccc6ccccc6c5c4c3)cccc2c1
InChIInChI=1S/C32H21NS.C28H19NS.C26H17NS.C22H15NS/c1-2-8-21(9-3-1)24-17-18-29(27-13-7-6-12-26(24)27)33-23-15-16-28-31(20-23)34-30-19-14-22-10-4-5-11-25(22)32(28)30;1-2-6-19(7-3-1)20-10-13-22(14-11-20)29-23-15-17-26-25(18-23)28-24-9-5-4-8-21(24)12-16-27(28)30-26;1-3-9-20-17(6-1)8-5-11-23(20)27-19-13-15-24-22(16-19)26-21-10-4-2-7-18(21)12-14-25(26)28-24;1-2-7-16(8-3-1)23-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)24-20/h1-20,33H;1-18,29H;1-16,27H;1-14,23H/i1D,2D,3D,8D,9D;;;
InChIKeyIWSBOWPEMVOEHU-VXSOBXMZSA-N
XLogP33.45
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001559.09
LogP ≤ 533.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine with MolForge

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Related Compounds

N-[4-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzothiol-9-amine
CID 118616822
N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
N-dibenzofuran-2-yldibenzofuran-3-amine;N-naphthalen-1-yldibenzothiophen-3-amine;N-phenyldibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 157309066
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
N-dibenzothiophen-3-yl-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-amine
CID 169315792
N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 169073524
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821
4-dibenzothiophen-2-yl-N-phenylnaphthalen-1-amine
CID 164934429
N-(7-phenylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 168799176
2-dibenzothiophen-2-yl-N-[3-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]aniline
CID 170181035

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine?
The IUPAC name of N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine (CID 158828181) is N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine.
What is the SMILES notation for N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine?
The canonical SMILES for N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine is [2H]c1c([2H])c([2H])c(-c2ccc(Nc3ccc4c(c3)sc3ccc5ccccc5c34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2ccc(Nc3ccc4sc5ccc6ccccc6c5c4c3)cc2)cc1.c1ccc(Nc2ccc3sc4ccc5ccccc5c4c3c2)cc1.c1ccc2c(Nc3ccc4sc5ccc6ccccc6c5c4c3)cccc2c1.
What is the InChIKey of N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine?
The InChIKey is IWSBOWPEMVOEHU-VXSOBXMZSA-N. The full InChI is InChI=1S/C32H21NS.C28H19NS.C26H17NS.C22H15NS/c1-2-8-21(9-3-1)24-17-18-29(27-13-7-6-12-26(24)27)33-23-15-16-28-31(20-23)34-30-19-14-22-10-4-5-11-25(22)32(28)30;1-2-6-19(7-3-1)20-10-13-22(14-11-20)29-23-15-17-26-25(18-23)28-24-9-5-4-8-21(24)12-16-27(28)30-26;1-3-9-20-17(6-1)8-5-11-23(20)27-19-13-15-24-22(16-19)26-21-10-4-2-7-18(21)12-14-25(26)28-24;1-2-7-16(8-3-1)23-17-11-13-20-19(14-17)22-18-9-5-4-6-15(18)10-12-21(22)24-20/h1-20,33H;1-18,29H;1-16,27H;1-14,23H/i1D,2D,3D,8D,9D;;;.
What are the key properties of N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine?
N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine has a molecular weight of 1559.09 g/mol, XLogP of 33.45, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-ylnaphtho[2,1-b][1]benzothiol-10-amine;N-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]naphtho[2,1-b][1]benzothiol-9-amine;N-phenylnaphtho[2,1-b][1]benzothiol-10-amine;N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-amine is sourced from PubChem (CID 158828181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).