1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene

C32H30 — CID 91194213

IUPAC1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene
SMILESCCCc1cccc2c1C(C1c3ccccc3-c3cccc(CCC)c31)c1ccccc1-2
InChIInChI=1S/C32H30/c1-3-11-21-13-9-19-25-23-15-5-7-17-27(23)31(29(21)25)32-28-18-8-6-16-24(28)26-20-10-14-22(12-4-2)30(26)32/h5-10,13-20,31-32H,3-4,11-12H2,1-2H3
InChIKeyACYSDRAXVUDFBU-UHFFFAOYSA-N
MW414.59 g/mol
LogP8.52
Rot. Bonds5

About 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene

1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene (PubChem CID 91194213) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene.

Molecular Properties

Compound Name1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene
PubChem CID91194213
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene
SMILESCCCc1cccc2c1C(C1c3ccccc3-c3cccc(CCC)c31)c1ccccc1-2
InChIInChI=1S/C32H30/c1-3-11-21-13-9-19-25-23-15-5-7-17-27(23)31(29(21)25)32-28-18-8-6-16-24(28)26-20-10-14-22(12-4-2)30(26)32/h5-10,13-20,31-32H,3-4,11-12H2,1-2H3
InChIKeyACYSDRAXVUDFBU-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
Indeno(1,2,3-hi)chrysene
CID 130669
2-Methylfluoranthene
CID 35702
1,2-Dihydrobenz(j)aceanthrylene
CID 10176
Benzo(ghi)fluoranthene
CID 9144

Frequently Asked Questions

What is the IUPAC name of 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene?
The IUPAC name of 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene (CID 91194213) is 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene.
What is the SMILES notation for 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene?
The canonical SMILES for 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene is CCCc1cccc2c1C(C1c3ccccc3-c3cccc(CCC)c31)c1ccccc1-2.
What is the InChIKey of 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene?
The InChIKey is ACYSDRAXVUDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30/c1-3-11-21-13-9-19-25-23-15-5-7-17-27(23)31(29(21)25)32-28-18-8-6-16-24(28)26-20-10-14-22(12-4-2)30(26)32/h5-10,13-20,31-32H,3-4,11-12H2,1-2H3.
What are the key properties of 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene?
1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene has a molecular weight of 414.59 g/mol, XLogP of 8.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-9-(1-propyl-9H-fluoren-9-yl)-9H-fluorene is sourced from PubChem (CID 91194213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).