N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine

C52H34N2OS — CID 155172905

IUPACN-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5cc(N(c6ccccc6)c6cc7c8ccccc8sc7c7ccccc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2OS/c1-4-14-37(15-5-1)53(38-16-6-2-7-17-38)40-27-24-35(25-28-40)36-26-31-49-46(32-36)43-30-29-41(33-50(43)55-49)54(39-18-8-3-9-19-39)48-34-47-44-21-12-13-23-51(44)56-52(47)45-22-11-10-20-42(45)48/h1-34H
InChIKeyQATXQIFWVFAHOC-UHFFFAOYSA-N
MW734.92 g/mol
LogP15.71
Rot. Bonds7

About N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine

N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine (PubChem CID 155172905) has the molecular formula C52H34N2OS and a molecular weight of 734.92 g/mol. Its IUPAC name is N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine
PubChem CID155172905
Molecular FormulaC52H34N2OS
Molecular Weight734.92 g/mol
Exact Mass734.24
IUPAC NameN-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5cc(N(c6ccccc6)c6cc7c8ccccc8sc7c7ccccc67)ccc5c4c3)cc2)cc1
InChIInChI=1S/C52H34N2OS/c1-4-14-37(15-5-1)53(38-16-6-2-7-17-38)40-27-24-35(25-28-40)36-26-31-49-46(32-36)43-30-29-41(33-50(43)55-49)54(39-18-8-3-9-19-39)48-34-47-44-21-12-13-23-51(44)56-52(47)45-22-11-10-20-42(45)48/h1-34H
InChIKeyQATXQIFWVFAHOC-UHFFFAOYSA-N
XLogP15.71
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-dibenzothiophen-2-yl-N-phenyl-8-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzofuran-3-amine
CID 155172831
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 153311673
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 170031914
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217

Frequently Asked Questions

What is the IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine (CID 155172905) is N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5cc(N(c6ccccc6)c6cc7c8ccccc8sc7c7ccccc67)ccc5c4c3)cc2)cc1.
What is the InChIKey of N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine?
The InChIKey is QATXQIFWVFAHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2OS/c1-4-14-37(15-5-1)53(38-16-6-2-7-17-38)40-27-24-35(25-28-40)36-26-31-49-46(32-36)43-30-29-41(33-50(43)55-49)54(39-18-8-3-9-19-39)48-34-47-44-21-12-13-23-51(44)56-52(47)45-22-11-10-20-42(45)48/h1-34H.
What are the key properties of N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine?
N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine has a molecular weight of 734.92 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 155172905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).