3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene

C37H34 — CID 173157088

IUPAC3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
SMILESCCCc1c(C2=CC=CC2)c2c(c(CCC)c1=C(c1ccccc1)c1ccccc1)-c1ccccc1C=2
InChIInChI=1S/C37H34/c1-3-15-31-35(28-21-11-12-22-28)33-25-29-23-13-14-24-30(29)36(33)32(16-4-2)37(31)34(26-17-7-5-8-18-26)27-19-9-6-10-20-27/h5-14,17-21,23-25H,3-4,15-16,22H2,1-2H3
InChIKeyJEIVPLBNJSIQRI-UHFFFAOYSA-N
MW478.68 g/mol
LogP7.99
Rot. Bonds7

About 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene

3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene (PubChem CID 173157088) has the molecular formula C37H34 and a molecular weight of 478.68 g/mol. Its IUPAC name is 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene.

Molecular Properties

Compound Name3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
PubChem CID173157088
Molecular FormulaC37H34
Molecular Weight478.68 g/mol
Exact Mass478.27
IUPAC Name3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene
SMILESCCCc1c(C2=CC=CC2)c2c(c(CCC)c1=C(c1ccccc1)c1ccccc1)-c1ccccc1C=2
InChIInChI=1S/C37H34/c1-3-15-31-35(28-21-11-12-22-28)33-25-29-23-13-14-24-30(29)36(33)32(16-4-2)37(31)34(26-17-7-5-8-18-26)27-19-9-6-10-20-27/h5-14,17-21,23-25H,3-4,15-16,22H2,1-2H3
InChIKeyJEIVPLBNJSIQRI-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.68
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The IUPAC name of 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene (CID 173157088) is 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene.
What is the SMILES notation for 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The canonical SMILES for 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene is CCCc1c(C2=CC=CC2)c2c(c(CCC)c1=C(c1ccccc1)c1ccccc1)-c1ccccc1C=2.
What is the InChIKey of 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
The InChIKey is JEIVPLBNJSIQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34/c1-3-15-31-35(28-21-11-12-22-28)33-25-29-23-13-14-24-30(29)36(33)32(16-4-2)37(31)34(26-17-7-5-8-18-26)27-19-9-6-10-20-27/h5-14,17-21,23-25H,3-4,15-16,22H2,1-2H3.
What are the key properties of 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene?
3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene has a molecular weight of 478.68 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylidene-1-cyclopenta-1,3-dien-1-yl-2,4-dipropylfluorene is sourced from PubChem (CID 173157088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).