9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole

C38H22S — CID 130295327

IUPAC9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole
SMILESc1cc(-c2ccc3cc4sc5ccccc5c4cc3c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1
InChIInChI=1S/C38H22S/c1-2-11-31-30(10-1)33-13-6-9-27-19-29(21-35(31)38(27)33)24-8-5-7-23(17-24)25-15-16-26-22-37-34(20-28(26)18-25)32-12-3-4-14-36(32)39-37/h1-22H
InChIKeyGHPZUWXAWQAXRI-UHFFFAOYSA-N
MW510.66 g/mol
LogP11.34
Rot. Bonds2

About 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole

9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole (PubChem CID 130295327) has the molecular formula C38H22S and a molecular weight of 510.66 g/mol. Its IUPAC name is 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole
PubChem CID130295327
Molecular FormulaC38H22S
Molecular Weight510.66 g/mol
Exact Mass510.14
IUPAC Name9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole
SMILESc1cc(-c2ccc3cc4sc5ccccc5c4cc3c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1
InChIInChI=1S/C38H22S/c1-2-11-31-30(10-1)33-13-6-9-27-19-29(21-35(31)38(27)33)24-8-5-7-23(17-24)25-15-16-26-22-37-34(20-28(26)18-25)32-12-3-4-14-36(32)39-37/h1-22H
InChIKeyGHPZUWXAWQAXRI-UHFFFAOYSA-N
XLogP11.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 511.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,8-bis(3-dibenzothiophen-4-ylphenyl)naphtho[2,3-b][1]benzothiole
CID 155277061
7-[3-(10-phenylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130186265
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
10-(3-phenanthren-2-yl-5-phenylphenyl)naphtho[2,3-b][1]benzothiole
CID 171747412
21-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 140801754
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
19-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,24-dithiahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130186299
1-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 176777531
2-(7-dibenzothiophen-2-ylpyren-2-yl)dibenzothiophene
CID 139341252
2-(4-naphtho[3,2-b][1]benzothiol-8-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474116
5-[3-(3-fluoranthen-2-ylphenyl)phenyl]benzo[c]phenanthrene
CID 140801778
3-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzothiole
CID 118503677

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole?
The IUPAC name of 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole (CID 130295327) is 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole?
The canonical SMILES for 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole is c1cc(-c2ccc3cc4sc5ccccc5c4cc3c2)cc(-c2cc3c4c(cccc4c2)-c2ccccc2-3)c1.
What is the InChIKey of 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole?
The InChIKey is GHPZUWXAWQAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22S/c1-2-11-31-30(10-1)33-13-6-9-27-19-29(21-35(31)38(27)33)24-8-5-7-23(17-24)25-15-16-26-22-37-34(20-28(26)18-25)32-12-3-4-14-36(32)39-37/h1-22H.
What are the key properties of 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole?
9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole has a molecular weight of 510.66 g/mol, XLogP of 11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoranthen-2-ylphenyl)naphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 130295327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).