7,7-diphenylnaphtho[2,1-b][1]benzothiole

C28H20S — CID 166995222

IUPAC7,7-diphenylnaphtho[2,1-b][1]benzothiole
SMILESc1ccc(S2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C28H20S/c1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H
InChIKeyJOSDDFJUCGONFA-UHFFFAOYSA-N
MW388.54 g/mol
LogP8.16
Rot. Bonds2

About 7,7-diphenylnaphtho[2,1-b][1]benzothiole

7,7-diphenylnaphtho[2,1-b][1]benzothiole (PubChem CID 166995222) has the molecular formula C28H20S and a molecular weight of 388.54 g/mol. Its IUPAC name is 7,7-diphenylnaphtho[2,1-b][1]benzothiole.

Molecular Properties

Compound Name7,7-diphenylnaphtho[2,1-b][1]benzothiole
PubChem CID166995222
Molecular FormulaC28H20S
Molecular Weight388.54 g/mol
Exact Mass388.13
IUPAC Name7,7-diphenylnaphtho[2,1-b][1]benzothiole
SMILESc1ccc(S2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C28H20S/c1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H
InChIKeyJOSDDFJUCGONFA-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-5,5-dinaphthalen-2-yldibenzothiophene
CID 139447469
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
N-[4-(10,10-diphenylphenoxathiin-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 134513414
12λ6,15λ6-dithiapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,13,17,19,21,23-undecaene 12,12,15,15-tetraoxide
CID 4866737
1,2-diphenylnaphthalene
CID 11208267
naphtho[1,2-b][1]benzothiole 11,11-dioxide
CID 13360927
3,6-dinaphthalen-1-yl-9-(5,5,7-triphenyldibenzothiophen-3-yl)carbazole
CID 144938389
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-bromo-1-naphthalen-1-ylnaphthalene
CID 620109
12,24-dinaphthalen-1-ylhexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(24),2(11),3,5,7,9,12,14(23),15,17,19,21-dodecaene
CID 123249303
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
benzo[c]fluoren-7-one
CID 22413

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenylnaphtho[2,1-b][1]benzothiole?
The IUPAC name of 7,7-diphenylnaphtho[2,1-b][1]benzothiole (CID 166995222) is 7,7-diphenylnaphtho[2,1-b][1]benzothiole.
What is the SMILES notation for 7,7-diphenylnaphtho[2,1-b][1]benzothiole?
The canonical SMILES for 7,7-diphenylnaphtho[2,1-b][1]benzothiole is c1ccc(S2(c3ccccc3)c3ccccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of 7,7-diphenylnaphtho[2,1-b][1]benzothiole?
The InChIKey is JOSDDFJUCGONFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20S/c1-3-12-22(13-4-1)29(23-14-5-2-6-15-23)26-18-10-9-17-25(26)28-24-16-8-7-11-21(24)19-20-27(28)29/h1-20H.
What are the key properties of 7,7-diphenylnaphtho[2,1-b][1]benzothiole?
7,7-diphenylnaphtho[2,1-b][1]benzothiole has a molecular weight of 388.54 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diphenylnaphtho[2,1-b][1]benzothiole is sourced from PubChem (CID 166995222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).