6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol

C41H26O2S2 — CID 154629781

IUPAC6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4cccc(-c5cccs5)c4-c4c(-c5cccs5)cccc43)ccc2c1
InChIInChI=1S/C41H26O2S2/c42-31-17-13-25-21-29(15-11-27(25)23-31)41(30-16-12-28-24-32(43)18-14-26(28)22-30)35-7-1-5-33(37-9-3-19-44-37)39(35)40-34(6-2-8-36(40)41)38-10-4-20-45-38/h1-24,42-43H
InChIKeyVBXWKRSBIIEGNL-UHFFFAOYSA-N
MW614.79 g/mol
LogP11.22
Rot. Bonds4

About 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol

6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol (PubChem CID 154629781) has the molecular formula C41H26O2S2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
PubChem CID154629781
Molecular FormulaC41H26O2S2
Molecular Weight614.79 g/mol
Exact Mass614.14
IUPAC Name6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4cccc(-c5cccs5)c4-c4c(-c5cccs5)cccc43)ccc2c1
InChIInChI=1S/C41H26O2S2/c42-31-17-13-25-21-29(15-11-27(25)23-31)41(30-16-12-28-24-32(43)18-14-26(28)22-30)35-7-1-5-33(37-9-3-19-44-37)39(35)40-34(6-2-8-36(40)41)38-10-4-20-45-38/h1-24,42-43H
InChIKeyVBXWKRSBIIEGNL-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-[9-(6-hydroxynaphthalen-2-yl)-3,6-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 154629847
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
6-[18,27-bis(6-hydroxynaphthalen-2-yl)-9,18,27-trinaphthalen-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 89491411
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
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158196216
anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[9-(6-hydroxynaphthalen-2-yl)-2,7-dimethylfluoren-9-yl]naphthalen-2-ol
CID 163275915
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946

Frequently Asked Questions

What is the IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The IUPAC name of 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol (CID 154629781) is 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The canonical SMILES for 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4cccc(-c5cccs5)c4-c4c(-c5cccs5)cccc43)ccc2c1.
What is the InChIKey of 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
The InChIKey is VBXWKRSBIIEGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26O2S2/c42-31-17-13-25-21-29(15-11-27(25)23-31)41(30-16-12-28-24-32(43)18-14-26(28)22-30)35-7-1-5-33(37-9-3-19-44-37)39(35)40-34(6-2-8-36(40)41)38-10-4-20-45-38/h1-24,42-43H.
What are the key properties of 6-[9-(6-hydroxynaphthalen-2-yl)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol?
6-[9-(6-hydroxynaphthalen-2-yl)-4,5-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)-4,5-dithiophen-2-ylfluoren-9-yl]naphthalen-2-ol is sourced from PubChem (CID 154629781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).