6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol

C40H26O2 — CID 126481591

IUPAC6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5)ccc2c1
InChIInChI=1S/C40H26O2/c41-32-15-11-24-18-30(13-9-26(24)20-32)40(31-14-10-27-21-33(42)16-12-25(27)19-31)38-8-4-3-7-35(38)37-22-29-17-28-5-1-2-6-34(28)36(29)23-39(37)40/h1-16,18-23,41-42H,17H2
InChIKeyMRVBCAYDRAHQIS-UHFFFAOYSA-N
MW538.65 g/mol
LogP9.34
Rot. Bonds2

About 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol

6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol (PubChem CID 126481591) has the molecular formula C40H26O2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
PubChem CID126481591
Molecular FormulaC40H26O2
Molecular Weight538.65 g/mol
Exact Mass538.19
IUPAC Name6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
SMILESOc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5)ccc2c1
InChIInChI=1S/C40H26O2/c41-32-15-11-24-18-30(13-9-26(24)20-32)40(31-14-10-27-21-33(42)16-12-25(27)19-31)38-8-4-3-7-35(38)37-22-29-17-28-5-1-2-6-34(28)36(29)23-39(37)40/h1-16,18-23,41-42H,17H2
InChIKeyMRVBCAYDRAHQIS-UHFFFAOYSA-N
XLogP9.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
11H-benzo[b]fluoren-7-ol
CID 123521714
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
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-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
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
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol?
The IUPAC name of 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol (CID 126481591) is 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol.
What is the SMILES notation for 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol?
The canonical SMILES for 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol is Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5)ccc2c1.
What is the InChIKey of 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol?
The InChIKey is MRVBCAYDRAHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O2/c41-32-15-11-24-18-30(13-9-26(24)20-32)40(31-14-10-27-21-33(42)16-12-25(27)19-31)38-8-4-3-7-35(38)37-22-29-17-28-5-1-2-6-34(28)36(29)23-39(37)40/h1-16,18-23,41-42H,17H2.
What are the key properties of 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol?
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol has a molecular weight of 538.65 g/mol, XLogP of 9.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol is sourced from PubChem (CID 126481591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).