9,9-diphenyl-1,3,6-tripropylfluorene

C34H36 — CID 123827868

IUPAC9,9-diphenyl-1,3,6-tripropylfluorene
SMILESCCCc1ccc2c(c1)-c1cc(CCC)cc(CCC)c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36/c1-4-13-25-20-21-32-30(23-25)31-24-26(14-5-2)22-27(15-6-3)33(31)34(32,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-12,16-24H,4-6,13-15H2,1-3H3
InChIKeyGDNNLBFJLRLLGP-UHFFFAOYSA-N
MW444.66 g/mol
LogP8.91
Rot. Bonds8

About 9,9-diphenyl-1,3,6-tripropylfluorene

9,9-diphenyl-1,3,6-tripropylfluorene (PubChem CID 123827868) has the molecular formula C34H36 and a molecular weight of 444.66 g/mol. Its IUPAC name is 9,9-diphenyl-1,3,6-tripropylfluorene.

Molecular Properties

Compound Name9,9-diphenyl-1,3,6-tripropylfluorene
PubChem CID123827868
Molecular FormulaC34H36
Molecular Weight444.66 g/mol
Exact Mass444.28
IUPAC Name9,9-diphenyl-1,3,6-tripropylfluorene
SMILESCCCc1ccc2c(c1)-c1cc(CCC)cc(CCC)c1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H36/c1-4-13-25-20-21-32-30(23-25)31-24-26(14-5-2)22-27(15-6-3)33(31)34(32,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-12,16-24H,4-6,13-15H2,1-3H3
InChIKeyGDNNLBFJLRLLGP-UHFFFAOYSA-N
XLogP8.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-1,3,6-tripropylfluorene?
The IUPAC name of 9,9-diphenyl-1,3,6-tripropylfluorene (CID 123827868) is 9,9-diphenyl-1,3,6-tripropylfluorene.
What is the SMILES notation for 9,9-diphenyl-1,3,6-tripropylfluorene?
The canonical SMILES for 9,9-diphenyl-1,3,6-tripropylfluorene is CCCc1ccc2c(c1)-c1cc(CCC)cc(CCC)c1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-diphenyl-1,3,6-tripropylfluorene?
The InChIKey is GDNNLBFJLRLLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36/c1-4-13-25-20-21-32-30(23-25)31-24-26(14-5-2)22-27(15-6-3)33(31)34(32,28-16-9-7-10-17-28)29-18-11-8-12-19-29/h7-12,16-24H,4-6,13-15H2,1-3H3.
What are the key properties of 9,9-diphenyl-1,3,6-tripropylfluorene?
9,9-diphenyl-1,3,6-tripropylfluorene has a molecular weight of 444.66 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-1,3,6-tripropylfluorene is sourced from PubChem (CID 123827868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).