11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane

C60H62O2 — CID 158052196

IUPAC11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
SMILESCC.CC.CCC.CCC.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C33H22O2.C17H12.2C3H8.2C2H6/c34-27-15-11-21-17-25(13-9-23(21)19-27)33(26-14-10-24-20-28(35)16-12-22(24)18-26)31-7-3-1-5-29(31)30-6-2-4-8-32(30)33;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;2*1-3-2;2*1-2/h1-20,34-35H;1-9,11H,10H2;2*3H2,1-2H3;2*1-2H3
InChIKeyFJPQIJCEXIDAOZ-UHFFFAOYSA-N
MW815.15 g/mol
LogP17.06
Rot. Bonds2

About 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane

11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane (PubChem CID 158052196) has the molecular formula C60H62O2 and a molecular weight of 815.15 g/mol. Its IUPAC name is 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane.

Molecular Properties

Compound Name11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
PubChem CID158052196
Molecular FormulaC60H62O2
Molecular Weight815.15 g/mol
Exact Mass814.47
IUPAC Name11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
SMILESCC.CC.CCC.CCC.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C33H22O2.C17H12.2C3H8.2C2H6/c34-27-15-11-21-17-25(13-9-23(21)19-27)33(26-14-10-24-20-28(35)16-12-22(24)18-26)31-7-3-1-5-29(31)30-6-2-4-8-32(30)33;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;2*1-3-2;2*1-2/h1-20,34-35H;1-9,11H,10H2;2*3H2,1-2H3;2*1-2H3
InChIKeyFJPQIJCEXIDAOZ-UHFFFAOYSA-N
XLogP17.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.15
LogP ≤ 517.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
11H-benzo[b]fluoren-7-ol
CID 123521714
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
CID 158465473
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311
bis(6,12-dihydroindeno[1,2-b]fluorene);ethane;bis(9H-fluorene);phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161124439
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
CID 130222612
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
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;9-(4-phenylphenyl)carbazole;propane
CID 158701368

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The IUPAC name of 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane (CID 158052196) is 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane.
What is the SMILES notation for 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The canonical SMILES for 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane is CC.CC.CCC.CCC.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.
What is the InChIKey of 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The InChIKey is FJPQIJCEXIDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2.C17H12.2C3H8.2C2H6/c34-27-15-11-21-17-25(13-9-23(21)19-27)33(26-14-10-24-20-28(35)16-12-22(24)18-26)31-7-3-1-5-29(31)30-6-2-4-8-32(30)33;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17;2*1-3-2;2*1-2/h1-20,34-35H;1-9,11H,10H2;2*3H2,1-2H3;2*1-2H3.
What are the key properties of 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane has a molecular weight of 815.15 g/mol, XLogP of 17.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane is sourced from PubChem (CID 158052196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).