anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane

C57H60O3 — CID 158196216

IUPACanthracen-1-ol;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.Oc1cccc2cc3ccccc3cc12
InChIInChI=1S/C33H22O2.C14H10O.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;15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*1-3-2;2*1-2/h1-20,34-35H;1-9,15H;2*3H2,1-2H3;2*1-2H3
InChIKeyGAJGJXUPUJQCCE-UHFFFAOYSA-N
MW793.10 g/mol
LogP16.35
Rot. Bonds2

About anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane

anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane (PubChem CID 158196216) has the molecular formula C57H60O3 and a molecular weight of 793.10 g/mol. Its IUPAC name is anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane.

Molecular Properties

Compound Nameanthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
PubChem CID158196216
Molecular FormulaC57H60O3
Molecular Weight793.10 g/mol
Exact Mass792.45
IUPAC Nameanthracen-1-ol;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.Oc1cccc2cc3ccccc3cc12
InChIInChI=1S/C33H22O2.C14H10O.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;15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*1-3-2;2*1-2/h1-20,34-35H;1-9,15H;2*3H2,1-2H3;2*1-2H3
InChIKeyGAJGJXUPUJQCCE-UHFFFAOYSA-N
XLogP16.35
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.10
LogP ≤ 516.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

anthracene-1,8-diol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 159179801
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
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
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;9-(4-phenylphenyl)carbazole;propane
CID 158701368
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
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
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
CID 158465473
6-[9-[6-[4-[6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]naphthalen-2-ol;2-[9-[6-[4-[6-[9-(2-hydroxy-4-octoxyphenyl)fluoren-9-yl]naphthalen-2-yl]oxybutoxy]naphthalen-2-yl]fluoren-9-yl]-5-octoxyphenol
CID 161116594

Frequently Asked Questions

What is the IUPAC name of anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The IUPAC name of anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane (CID 158196216) is anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane.
What is the SMILES notation for anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The canonical SMILES for anthracen-1-ol;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.Oc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
The InChIKey is GAJGJXUPUJQCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O2.C14H10O.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;15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;2*1-3-2;2*1-2/h1-20,34-35H;1-9,15H;2*3H2,1-2H3;2*1-2H3.
What are the key properties of anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane?
anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane has a molecular weight of 793.10 g/mol, XLogP of 16.35, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-ol;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane is sourced from PubChem (CID 158196216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).