N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine

C54H33NOS — CID 118616283

IUPACN-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)c2ccc3sc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C54H33NOS/c1-2-11-38-30-40(17-16-34(38)8-1)39-12-7-13-43(31-39)55(44-25-29-52-50(33-44)48-27-21-37-10-4-6-15-46(37)54(48)57-52)42-23-18-35(19-24-42)41-22-28-51-49(32-41)47-26-20-36-9-3-5-14-45(36)53(47)56-51/h1-33H
InChIKeyMKBSWAQQODXLSI-UHFFFAOYSA-N
MW743.93 g/mol
LogP16.22
Rot. Bonds5

About N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine

N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine (PubChem CID 118616283) has the molecular formula C54H33NOS and a molecular weight of 743.93 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
PubChem CID118616283
Molecular FormulaC54H33NOS
Molecular Weight743.93 g/mol
Exact Mass743.23
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)c2ccc3sc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C54H33NOS/c1-2-11-38-30-40(17-16-34(38)8-1)39-12-7-13-43(31-39)55(44-25-29-52-50(33-44)48-27-21-37-10-4-6-15-46(37)54(48)57-52)42-23-18-35(19-24-42)41-22-28-51-49(32-41)47-26-20-36-9-3-5-14-45(36)53(47)56-51/h1-33H
InChIKeyMKBSWAQQODXLSI-UHFFFAOYSA-N
XLogP16.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.93
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine with MolForge

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Related Compounds

N-(4-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 118616293
N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 168767541
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 169063947
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzothiol-8-amine
CID 167182788
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168804904
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;bis(N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 159591700

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine (CID 118616283) is N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4oc5c6ccccc6ccc5c4c3)cc2)c2ccc3sc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
The InChIKey is MKBSWAQQODXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS/c1-2-11-38-30-40(17-16-34(38)8-1)39-12-7-13-43(31-39)55(44-25-29-52-50(33-44)48-27-21-37-10-4-6-15-46(37)54(48)57-52)42-23-18-35(19-24-42)41-22-28-51-49(32-41)47-26-20-36-9-3-5-14-45(36)53(47)56-51/h1-33H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine?
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine has a molecular weight of 743.93 g/mol, XLogP of 16.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphtho[1,2-b][1]benzothiol-8-amine is sourced from PubChem (CID 118616283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).