(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine

C43H31NS — CID 142293790

IUPAC(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine
SMILESN/C(=C\C(c1ccccc1)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c1
InChIInChI=1S/C43H31NS/c44-41(28-39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)37-20-10-19-33(24-37)31-17-9-18-32(23-31)36-21-22-38-40-25-34-15-7-8-16-35(34)26-43(40)45-42(38)27-36/h1-28,39H,44H2/b41-28-
InChIKeyABNGROZSVMQIJM-DUJXHPOHSA-N
MW593.80 g/mol
LogP11.67
Rot. Bonds6

About (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine

(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine (PubChem CID 142293790) has the molecular formula C43H31NS and a molecular weight of 593.80 g/mol. Its IUPAC name is (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine
PubChem CID142293790
Molecular FormulaC43H31NS
Molecular Weight593.80 g/mol
Exact Mass593.22
IUPAC Name(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine
SMILESN/C(=C\C(c1ccccc1)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c1
InChIInChI=1S/C43H31NS/c44-41(28-39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)37-20-10-19-33(24-37)31-17-9-18-32(23-31)36-21-22-38-40-25-34-15-7-8-16-35(34)26-43(40)45-42(38)27-36/h1-28,39H,44H2/b41-28-
InChIKeyABNGROZSVMQIJM-DUJXHPOHSA-N
XLogP11.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(E)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3-phenyl-3-(4-phenylphenyl)prop-2-en-1-imine
CID 142294158
3-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzothiole
CID 118503674
19-[4-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[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 130190833
3-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzothiole
CID 118503677
2-[7-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171597144
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041
2-naphtho[2,3-b][1]benzothiol-3-yl-5-(10-phenylanthracen-9-yl)pyridine
CID 142353458
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 138613719

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine?
The IUPAC name of (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine (CID 142293790) is (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine?
The canonical SMILES for (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine is N/C(=C\C(c1ccccc1)c1ccccc1)c1cccc(-c2cccc(-c3ccc4c(c3)sc3cc5ccccc5cc34)c2)c1.
What is the InChIKey of (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine?
The InChIKey is ABNGROZSVMQIJM-DUJXHPOHSA-N. The full InChI is InChI=1S/C43H31NS/c44-41(28-39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)37-20-10-19-33(24-37)31-17-9-18-32(23-31)36-21-22-38-40-25-34-15-7-8-16-35(34)26-43(40)45-42(38)27-36/h1-28,39H,44H2/b41-28-.
What are the key properties of (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine?
(Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine has a molecular weight of 593.80 g/mol, XLogP of 11.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3,3-diphenylprop-1-en-1-amine is sourced from PubChem (CID 142293790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).