9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene

C32H26 — CID 163640808

IUPAC9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
SMILESC=C/C=C(\C=C/C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C32H26/c1-3-12-24(13-4-2)25-20-22-27(23-21-25)32(26-14-6-5-7-15-26)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h3-23H,1H2,2H3/b13-4-,24-12+
InChIKeyIECHAFILAYPZLT-SJVCSGIHSA-N
MW410.56 g/mol
LogP8.20
Rot. Bonds5

About 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene

9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene (PubChem CID 163640808) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene.

Molecular Properties

Compound Name9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
PubChem CID163640808
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene
SMILESC=C/C=C(\C=C/C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C32H26/c1-3-12-24(13-4-2)25-20-22-27(23-21-25)32(26-14-6-5-7-15-26)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h3-23H,1H2,2H3/b13-4-,24-12+
InChIKeyIECHAFILAYPZLT-SJVCSGIHSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene?
The IUPAC name of 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene (CID 163640808) is 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene.
What is the SMILES notation for 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene?
The canonical SMILES for 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene is C=C/C=C(\C=C/C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene?
The InChIKey is IECHAFILAYPZLT-SJVCSGIHSA-N. The full InChI is InChI=1S/C32H26/c1-3-12-24(13-4-2)25-20-22-27(23-21-25)32(26-14-6-5-7-15-26)30-18-10-8-16-28(30)29-17-9-11-19-31(29)32/h3-23H,1H2,2H3/b13-4-,24-12+.
What are the key properties of 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene?
9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene has a molecular weight of 410.56 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-9-phenylfluorene is sourced from PubChem (CID 163640808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).