7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene

C36H34O2 — CID 145357146

IUPAC7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene
SMILESCCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3c2ccc2ccccc32)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)33-13-9-8-12-32(33)35-31-11-7-6-10-26(31)14-23-34(35)36/h6-25H,5H2,1-4H3
InChIKeyQNVREIPNQWSVTC-UHFFFAOYSA-N
MW498.67 g/mol
LogP9.02
Rot. Bonds7

About 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene

7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene (PubChem CID 145357146) has the molecular formula C36H34O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene.

Molecular Properties

Compound Name7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene
PubChem CID145357146
Molecular FormulaC36H34O2
Molecular Weight498.67 g/mol
Exact Mass498.26
IUPAC Name7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene
SMILESCCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3c2ccc2ccccc32)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)33-13-9-8-12-32(33)35-31-11-7-6-10-26(31)14-23-34(35)36/h6-25H,5H2,1-4H3
InChIKeyQNVREIPNQWSVTC-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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene?
The IUPAC name of 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene (CID 145357146) is 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene.
What is the SMILES notation for 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene?
The canonical SMILES for 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene is CCOc1ccc(C2(c3ccc(OC(C)C(C)C)cc3)c3ccccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene?
The InChIKey is QNVREIPNQWSVTC-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)33-13-9-8-12-32(33)35-31-11-7-6-10-26(31)14-23-34(35)36/h6-25H,5H2,1-4H3.
What are the key properties of 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene?
7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]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 7-(4-ethoxyphenyl)-7-[4-(3-methylbutan-2-yloxy)phenyl]benzo[c]fluorene is sourced from PubChem (CID 145357146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).