6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol

C41H26O2S2 — CID 154629847

IUPAC6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccs5)cc4-c4cc(-c5cccs5)ccc43)ccc2c1
InChIInChI=1S/C41H26O2S2/c42-33-13-7-25-19-31(11-5-27(25)21-33)41(32-12-6-28-22-34(43)14-8-26(28)20-32)37-15-9-29(39-3-1-17-44-39)23-35(37)36-24-30(10-16-38(36)41)40-4-2-18-45-40/h1-24,42-43H
InChIKeyIJYRJNKZXJMPFL-UHFFFAOYSA-N
MW614.79 g/mol
LogP11.22
Rot. Bonds4

About 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol

6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol (PubChem CID 154629847) has the molecular formula C41H26O2S2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
PubChem CID154629847
Molecular FormulaC41H26O2S2
Molecular Weight614.79 g/mol
Exact Mass614.14
IUPAC Name6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccs5)cc4-c4cc(-c5cccs5)ccc43)ccc2c1
InChIInChI=1S/C41H26O2S2/c42-33-13-7-25-19-31(11-5-27(25)21-33)41(32-12-6-28-22-34(43)14-8-26(28)20-32)37-15-9-29(39-3-1-17-44-39)23-35(37)36-24-30(10-16-38(36)41)40-4-2-18-45-40/h1-24,42-43H
InChIKeyIJYRJNKZXJMPFL-UHFFFAOYSA-N
XLogP11.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 511.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629781
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
6-[9,18,18,27,27-pentakis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491369
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
6-[9-(6-hydroxynaphthalen-2-yl)-2,7-dimethylfluoren-9-yl]naphthalen-2-ol
CID 163275915
4-[3,6-bis(4-aminophenyl)-9-(4-hydroxyphenyl)fluoren-9-yl]phenol
CID 141279487
6-[9,18,27-tri(anthracen-2-yl)-18,27-bis(6-hydroxynaphthalen-2-yl)-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaenyl]naphthalen-2-ol
CID 89491461

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol (CID 154629847) is 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccc(-c5cccs5)cc4-c4cc(-c5cccs5)ccc43)ccc2c1.
What is the InChIKey of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The InChIKey is IJYRJNKZXJMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O2S2/c42-33-13-7-25-19-31(11-5-27(25)21-33)41(32-12-6-28-22-34(43)14-8-26(28)20-32)37-15-9-29(39-3-1-17-44-39)23-35(37)36-24-30(10-16-38(36)41)40-4-2-18-45-40/h1-24,42-43H.
What are the key properties of 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol has a molecular weight of 614.79 g/mol, XLogP of 11.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 154629847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).