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

C55H48O2 — CID 158465473

IUPACethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
SMILESCC.CC.CC1c2ccccc2-c2cc3ccccc3cc21.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C33H22O2.C18H14.2C2H6/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;1-12-15-8-4-5-9-16(15)18-11-14-7-3-2-6-13(14)10-17(12)18;2*1-2/h1-20,34-35H;2-12H,1H3;2*1-2H3
InChIKeyHFRUPCXLSMEAPC-UHFFFAOYSA-N
MW740.99 g/mol
LogP14.79
Rot. Bonds2

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

ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene (PubChem CID 158465473) has the molecular formula C55H48O2 and a molecular weight of 740.99 g/mol. Its IUPAC name is ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene.

Molecular Properties

Compound Nameethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
PubChem CID158465473
Molecular FormulaC55H48O2
Molecular Weight740.99 g/mol
Exact Mass740.37
IUPAC Nameethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
SMILESCC.CC.CC1c2ccccc2-c2cc3ccccc3cc21.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C33H22O2.C18H14.2C2H6/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;1-12-15-8-4-5-9-16(15)18-11-14-7-3-2-6-13(14)10-17(12)18;2*1-2/h1-20,34-35H;2-12H,1H3;2*1-2H3
InChIKeyHFRUPCXLSMEAPC-UHFFFAOYSA-N
XLogP14.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.99
LogP ≤ 514.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
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
2-(9-anthracen-2-ylfluoren-9-yl)anthracene
CID 162705610
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-[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-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
CID 130222612
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-2-ylfluoren-9-yl]naphthalen-2-ol
CID 153407946
9,9-bis(6-methylnaphthalen-2-yl)fluorene;ethane
CID 145302395
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591

Frequently Asked Questions

What is the IUPAC name of ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene?
The IUPAC name of ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene (CID 158465473) is ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene.
What is the SMILES notation for ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene?
The canonical SMILES for ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene is CC.CC.CC1c2ccccc2-c2cc3ccccc3cc21.Oc1ccc2cc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene?
The InChIKey is HFRUPCXLSMEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2.C18H14.2C2H6/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;1-12-15-8-4-5-9-16(15)18-11-14-7-3-2-6-13(14)10-17(12)18;2*1-2/h1-20,34-35H;2-12H,1H3;2*1-2H3.
What are the key properties of ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene?
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene has a molecular weight of 740.99 g/mol, XLogP of 14.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene is sourced from PubChem (CID 158465473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).