9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene

C30H24O2 — CID 155719011

IUPAC9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
SMILESC=CC(=C)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H24O2/c1-4-21(2)32-25-19-15-23(16-20-25)30(22-13-17-24(31-3)18-14-22)28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h4-20H,1-2H2,3H3
InChIKeyLJJXTPLTYSAMRX-UHFFFAOYSA-N
MW416.52 g/mol
LogP7.14
Rot. Bonds6

About 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene

9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene (PubChem CID 155719011) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene.

Molecular Properties

Compound Name9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
PubChem CID155719011
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Name9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene
SMILESC=CC(=C)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H24O2/c1-4-21(2)32-25-19-15-23(16-20-25)30(22-13-17-24(31-3)18-14-22)28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h4-20H,1-2H2,3H3
InChIKeyLJJXTPLTYSAMRX-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3,5-diacetylbenzoate
CID 59331100
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis(4-methoxyphenyl)fluorene-2-carbaldehyde
CID 174747759
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] 3-acetylbenzoate
CID 58943087
[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
CID 91347944
2-methoxy-N,N-bis[2-methoxy-4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl]-4-[9-(4-methoxyphenyl)fluoren-9-yl]aniline
CID 132569394

Frequently Asked Questions

What is the IUPAC name of 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene?
The IUPAC name of 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene (CID 155719011) is 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene.
What is the SMILES notation for 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene?
The canonical SMILES for 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene is C=CC(=C)Oc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene?
The InChIKey is LJJXTPLTYSAMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2/c1-4-21(2)32-25-19-15-23(16-20-25)30(22-13-17-24(31-3)18-14-22)28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h4-20H,1-2H2,3H3.
What are the key properties of 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene?
9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene has a molecular weight of 416.52 g/mol, XLogP of 7.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-buta-1,3-dien-2-yloxyphenyl)-9-(4-methoxyphenyl)fluorene is sourced from PubChem (CID 155719011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).