11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene

C36H34O2 — CID 145357128

IUPAC11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene
SMILESCCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C36H34O2/c1-5-37-29-19-15-27(16-20-29)36(28-17-21-30(22-18-28)38-25(4)24(2)3)34-13-9-8-12-32(34)33-23-14-26-10-6-7-11-31(26)35(33)36/h6-25H,5H2,1-4H3
InChIKeyOSUGJIZGODTZFD-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.02
Rot. Bonds7

About 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene

11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene (PubChem CID 145357128) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene.

Molecular Properties

Compound Name11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene
PubChem CID145357128
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene
SMILESCCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3ccc4ccccc4c32)cc1
InChIInChI=1S/C36H34O2/c1-5-37-29-19-15-27(16-20-29)36(28-17-21-30(22-18-28)38-25(4)24(2)3)34-13-9-8-12-32(34)33-23-14-26-10-6-7-11-31(26)35(33)36/h6-25H,5H2,1-4H3
InChIKeyOSUGJIZGODTZFD-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene with MolForge

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Related Compounds

7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene
CID 145357146
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CID 21037516
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
2-[[4-[12-[4-(thiiran-2-ylmethoxy)phenyl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]phenoxy]methyl]thiirane
CID 140948264
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
11,11-diphenyl-4-pyren-1-ylbenzo[a]fluorene
CID 159765639
12-[4-(11-phenylbenzo[a]fluoren-11-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170022455
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2-naphthalen-1-ylfluoren-9-yl]phenoxy]ethanol
CID 170283807
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546

Frequently Asked Questions

What is the IUPAC name of 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene?
The IUPAC name of 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene (CID 145357128) is 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene.
What is the SMILES notation for 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene?
The canonical SMILES for 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene is CCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3ccc4ccccc4c32)cc1.
What is the InChIKey of 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene?
The InChIKey is OSUGJIZGODTZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O2/c1-5-37-29-19-15-27(16-20-29)36(28-17-21-30(22-18-28)38-25(4)24(2)3)34-13-9-8-12-32(34)33-23-14-26-10-6-7-11-31(26)35(33)36/h6-25H,5H2,1-4H3.
What are the key properties of 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene?
11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene has a molecular weight of 498.67 g/mol, XLogP of 9.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-ethoxyphenyl)-11-[4-(3-methylbutan-2-yloxy)phenyl]benzo[a]fluorene is sourced from PubChem (CID 145357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).