3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran

C30H30O2 — CID 145051394

IUPAC3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran
SMILESCCCCc1cccc(-c2occ3c2ccc2c(-c4cccc(CCCC)c4)occ23)c1
InChIInChI=1S/C30H30O2/c1-3-5-9-21-11-7-13-23(17-21)29-25-15-16-26-28(27(25)19-31-29)20-32-30(26)24-14-8-12-22(18-24)10-6-4-2/h7-8,11-20H,3-6,9-10H2,1-2H3
InChIKeyYJEDVMUXIWXQLY-UHFFFAOYSA-N
MW422.57 g/mol
LogP9.20
Rot. Bonds8

About 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran

3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran (PubChem CID 145051394) has the molecular formula C30H30O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran.

Molecular Properties

Compound Name3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran
PubChem CID145051394
Molecular FormulaC30H30O2
Molecular Weight422.57 g/mol
Exact Mass422.22
IUPAC Name3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran
SMILESCCCCc1cccc(-c2occ3c2ccc2c(-c4cccc(CCCC)c4)occ23)c1
InChIInChI=1S/C30H30O2/c1-3-5-9-21-11-7-13-23(17-21)29-25-15-16-26-28(27(25)19-31-29)20-32-30(26)24-14-8-12-22(18-24)10-6-4-2/h7-8,11-20H,3-6,9-10H2,1-2H3
InChIKeyYJEDVMUXIWXQLY-UHFFFAOYSA-N
XLogP9.20
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-(4-pentylphenyl)benzene
CID 123269594
1,3-di(tetradecyl)benzene
CID 91053224
1-butyl-2-(3-butylphenyl)benzene
CID 142022154
7,16-bis(3-decylphenyl)-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651575
4-(3-butylphenyl)-2,6-dimethylphenol
CID 157070879
3-(3-nonylphenyl)furan-2-carbaldehyde
CID 151941952
1-butyl-3-prop-2-enylbenzene
CID 140596641
1-bromo-4-octyl-2-(3-octylphenyl)benzene
CID 141358337
2-(3-butylphenyl)-4-phenylquinoline
CID 141357650
2-[3-(3-butylphenyl)phenyl]pyridine
CID 58401104
[3-butyl-2-(3-butylphenyl)-4-pentyl-5-(3-pentylphenyl)pyrrol-1-ium-1-ylidene]azanide
CID 87820595
acetaldehyde;1-methyl-3-(3-octylphenyl)benzene
CID 142319117

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran?
The IUPAC name of 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran (CID 145051394) is 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran.
What is the SMILES notation for 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran?
The canonical SMILES for 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran is CCCCc1cccc(-c2occ3c2ccc2c(-c4cccc(CCCC)c4)occ23)c1.
What is the InChIKey of 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran?
The InChIKey is YJEDVMUXIWXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2/c1-3-5-9-21-11-7-13-23(17-21)29-25-15-16-26-28(27(25)19-31-29)20-32-30(26)24-14-8-12-22(18-24)10-6-4-2/h7-8,11-20H,3-6,9-10H2,1-2H3.
What are the key properties of 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran?
3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran has a molecular weight of 422.57 g/mol, XLogP of 9.20, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-butylphenyl)furo[3,4-e][2]benzofuran is sourced from PubChem (CID 145051394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).