2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine

C52H38N2S2 — CID 154955141

IUPAC2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine
SMILESC1=Cc2c(sc3c2CC(N(c2ccccc2)c2cc4ccccc4c4sc5ccccc5c24)C=C3)C(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C52H38N2S2/c1-4-15-35(16-5-1)36-27-29-40(30-28-36)53(38-18-6-2-7-19-38)46-25-14-24-43-45-34-41(31-32-49(45)55-51(43)46)54(39-20-8-3-9-21-39)47-33-37-17-10-11-22-42(37)52-50(47)44-23-12-13-26-48(44)56-52/h1-24,26-33,41,46H,25,34H2
InChIKeyIUSPCKWZJHQWTB-UHFFFAOYSA-N
MW755.02 g/mol
LogP15.01
Rot. Bonds7

About 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine

2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine (PubChem CID 154955141) has the molecular formula C52H38N2S2 and a molecular weight of 755.02 g/mol. Its IUPAC name is 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine.

Molecular Properties

Compound Name2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine
PubChem CID154955141
Molecular FormulaC52H38N2S2
Molecular Weight755.02 g/mol
Exact Mass754.25
IUPAC Name2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine
SMILESC1=Cc2c(sc3c2CC(N(c2ccccc2)c2cc4ccccc4c4sc5ccccc5c24)C=C3)C(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C52H38N2S2/c1-4-15-35(16-5-1)36-27-29-40(30-28-36)53(38-18-6-2-7-19-38)46-25-14-24-43-45-34-41(31-32-49(45)55-51(43)46)54(39-20-8-3-9-21-39)47-33-37-17-10-11-22-42(37)52-50(47)44-23-12-13-26-48(44)56-52/h1-24,26-33,41,46H,25,34H2
InChIKeyIUSPCKWZJHQWTB-UHFFFAOYSA-N
XLogP15.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.02
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine with MolForge

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Related Compounds

3-phenyl-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169280771
N-[3-[17'-[3-[N-(3,4-dihydrodibenzothiophen-4-yl)anilino]phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 164938452
N-(4-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)cyclohexa-2,4-dien-1-yl]phenanthren-9-amine
CID 153357645
N-[3-(4-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylnaphthalen-2-yl)naphtho[1,2-b][1]benzothiol-6-amine
CID 169007286
N-naphthalen-2-yl-N-phenyl-5-[4-(N-[(1R)-1,2,9,10-tetrahydrophenanthren-1-yl]anilino)phenyl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-18-amine
CID 121275537
2-naphtho[1,2-b][1]benzothiol-6-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 174310512
N-[3-[3-[dibenzothiophen-1-yl-(4-phenylnaphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-6-amine
CID 167086483
N-phenyl-N-(4-phenylphenyl)-9-thiahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaen-21-amine
CID 164721626
N-phenyl-N-[4-(10-phenyl-5,6-dihydronaphtho[1,2-b][1]benzofuran-5-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydrodibenzothiophen-4-amine
CID 167143728
2-N-dibenzofuran-3-yl-3-N-(3,4-dihydrodibenzothiophen-4-yl)-2-N,3-N-diphenylnaphtho[2,3-b][1]benzothiole-2,3-diamine
CID 166856032
2-naphthalen-2-yl-4-phenyl-6-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-1,3,5-triazine
CID 164721420
3-dibenzothiophen-4-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)aniline
CID 170135768

Frequently Asked Questions

What is the IUPAC name of 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine?
The IUPAC name of 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine (CID 154955141) is 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine.
What is the SMILES notation for 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine?
The canonical SMILES for 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine is C1=Cc2c(sc3c2CC(N(c2ccccc2)c2cc4ccccc4c4sc5ccccc5c24)C=C3)C(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine?
The InChIKey is IUSPCKWZJHQWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2S2/c1-4-15-35(16-5-1)36-27-29-40(30-28-36)53(38-18-6-2-7-19-38)46-25-14-24-43-45-34-41(31-32-49(45)55-51(43)46)54(39-20-8-3-9-21-39)47-33-37-17-10-11-22-42(37)52-50(47)44-23-12-13-26-48(44)56-52/h1-24,26-33,41,46H,25,34H2.
What are the key properties of 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine?
2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine has a molecular weight of 755.02 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-naphtho[1,2-b][1]benzothiol-6-yl-2-N,6-N-diphenyl-6-N-(4-phenylphenyl)-1,2,6,7-tetrahydrodibenzothiophene-2,6-diamine is sourced from PubChem (CID 154955141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).