8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine

C50H32N2OS — CID 139525359

IUPAC8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccccc5)c4c3c2)c2cc3sc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C50H32N2OS/c1-4-17-34(18-5-1)51(35-19-6-2-7-20-35)44-30-33-16-10-11-23-38(33)50-49(44)42-31-37(28-29-45(42)53-50)52(36-21-8-3-9-22-36)43-32-47-48(40-25-13-12-24-39(40)43)41-26-14-15-27-46(41)54-47/h1-32H
InChIKeyOAYINBZNEUISPE-UHFFFAOYSA-N
MW708.89 g/mol
LogP15.20
Rot. Bonds6

About 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine

8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine (PubChem CID 139525359) has the molecular formula C50H32N2OS and a molecular weight of 708.89 g/mol. Its IUPAC name is 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine.

Molecular Properties

Compound Name8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine
PubChem CID139525359
Molecular FormulaC50H32N2OS
Molecular Weight708.89 g/mol
Exact Mass708.22
IUPAC Name8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine
SMILESc1ccc(N(c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccccc5)c4c3c2)c2cc3sc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C50H32N2OS/c1-4-17-34(18-5-1)51(35-19-6-2-7-20-35)44-30-33-16-10-11-23-38(33)50-49(44)42-31-37(28-29-45(42)53-50)52(36-21-8-3-9-22-36)43-32-47-48(40-25-13-12-24-39(40)43)41-26-14-15-27-46(41)54-47/h1-32H
InChIKeyOAYINBZNEUISPE-UHFFFAOYSA-N
XLogP15.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine with MolForge

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Related Compounds

6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
CID 167208628
N,N-di(dibenzothiophen-3-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 158563852
N-phenyl-N-(12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)dibenzofuran-2-amine
CID 90263852
5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775
3-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-4-methyl-3-N,10-N-diphenylphenanthrene-3,10-diamine
CID 170284022
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
20-[(E)-2-naphtho[2,1-b][1]benzothiol-5-yl-1-phenylethenyl]-N,N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-3-amine
CID 139549006
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170296830
9-N,23-N-di(phenanthren-9-yl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 155359554

Frequently Asked Questions

What is the IUPAC name of 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine?
The IUPAC name of 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine (CID 139525359) is 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine.
What is the SMILES notation for 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine?
The canonical SMILES for 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine is c1ccc(N(c2ccc3oc4c5ccccc5cc(N(c5ccccc5)c5ccccc5)c4c3c2)c2cc3sc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine?
The InChIKey is OAYINBZNEUISPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2OS/c1-4-17-34(18-5-1)51(35-19-6-2-7-20-35)44-30-33-16-10-11-23-38(33)50-49(44)42-31-37(28-29-45(42)53-50)52(36-21-8-3-9-22-36)43-32-47-48(40-25-13-12-24-39(40)43)41-26-14-15-27-46(41)54-47/h1-32H.
What are the key properties of 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine?
8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine has a molecular weight of 708.89 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-naphtho[2,1-b][1]benzothiol-5-yl-6-N,6-N,8-N-triphenylnaphtho[1,2-b][1]benzofuran-6,8-diamine is sourced from PubChem (CID 139525359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).