6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol

C40H30O2 — CID 130222612

IUPAC6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
SMILESCCCc1cc(O)cc2ccc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)cc12
InChIInChI=1S/C40H30O2/c1-2-7-29-20-34(42)21-30-13-16-32(24-36(29)30)40(31-15-12-28-19-33(41)17-14-27(28)18-31)38-11-6-5-10-35(38)37-22-25-8-3-4-9-26(25)23-39(37)40/h3-6,8-24,41-42H,2,7H2,1H3
InChIKeyCWHWCWFKJFUCEP-UHFFFAOYSA-N
MW542.68 g/mol
LogP9.87
Rot. Bonds4

About 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol

6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol (PubChem CID 130222612) has the molecular formula C40H30O2 and a molecular weight of 542.68 g/mol. Its IUPAC name is 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol.

Molecular Properties

Compound Name6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
PubChem CID130222612
Molecular FormulaC40H30O2
Molecular Weight542.68 g/mol
Exact Mass542.22
IUPAC Name6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol
SMILESCCCc1cc(O)cc2ccc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)cc12
InChIInChI=1S/C40H30O2/c1-2-7-29-20-34(42)21-30-13-16-32(24-36(29)30)40(31-15-12-28-19-33(41)17-14-27(28)18-31)38-11-6-5-10-35(38)37-22-25-8-3-4-9-26(25)23-39(37)40/h3-6,8-24,41-42H,2,7H2,1H3
InChIKeyCWHWCWFKJFUCEP-UHFFFAOYSA-N
XLogP9.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 59.87
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
11H-benzo[b]fluorene;ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;propane
CID 158052196
6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol
CID 146804332
6-[9-(6-hydroxynaphthalen-2-yl)-3,6-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-ol
CID 142536403
6-[12-(6-hydroxynaphthalen-2-yl)-6H-indeno[1,2-b]fluoren-12-yl]naphthalen-2-ol
CID 126481591
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;11-methyl-11H-benzo[b]fluorene
CID 158465473
ethane;6-[9-(6-hydroxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-ol;9-(4-phenylphenyl)carbazole;propane
CID 158701368
11-(6,7-dimethylnaphthalen-2-yl)-11-[4-[4-[9-(6,7-dimethylnaphthalen-2-yl)fluoren-9-yl]phenyl]phenyl]benzo[b]fluorene
CID 164808737
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
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 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol?
The IUPAC name of 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol (CID 130222612) is 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol.
What is the SMILES notation for 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol?
The canonical SMILES for 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol is CCCc1cc(O)cc2ccc(C3(c4ccc5cc(O)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)cc12.
What is the InChIKey of 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol?
The InChIKey is CWHWCWFKJFUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30O2/c1-2-7-29-20-34(42)21-30-13-16-32(24-36(29)30)40(31-15-12-28-19-33(41)17-14-27(28)18-31)38-11-6-5-10-35(38)37-22-25-8-3-4-9-26(25)23-39(37)40/h3-6,8-24,41-42H,2,7H2,1H3.
What are the key properties of 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol?
6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol has a molecular weight of 542.68 g/mol, XLogP of 9.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[11-(6-hydroxynaphthalen-2-yl)benzo[b]fluoren-11-yl]-4-propylnaphthalen-2-ol is sourced from PubChem (CID 130222612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).