1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene

C34H36 — CID 158660658

IUPAC1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2.CCc1ccc2c(c1)-c1cccc(CC)c1C2
InChIInChI=1S/2C17H18/c1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-12-8-9-14-11-17-13(4-2)6-5-7-15(17)16(14)10-12/h2*5-10H,3-4,11H2,1-2H3
InChIKeyICSGBSXRQDFMHU-UHFFFAOYSA-N
MW444.66 g/mol
LogP8.77
Rot. Bonds4

About 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene

1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene (PubChem CID 158660658) has the molecular formula C34H36 and a molecular weight of 444.66 g/mol. Its IUPAC name is 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene.

Molecular Properties

Compound Name1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene
PubChem CID158660658
Molecular FormulaC34H36
Molecular Weight444.66 g/mol
Exact Mass444.28
IUPAC Name1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2.CCc1ccc2c(c1)-c1cccc(CC)c1C2
InChIInChI=1S/2C17H18/c1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-12-8-9-14-11-17-13(4-2)6-5-7-15(17)16(14)10-12/h2*5-10H,3-4,11H2,1-2H3
InChIKeyICSGBSXRQDFMHU-UHFFFAOYSA-N
XLogP8.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 58.77
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
Benzo(K)Fluoranthene
CID 9158
Benzo(J)Fluoranthene
CID 9152
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
11H-Benzo(a)fluorene
CID 9195
11H-Benzo(b)fluorene
CID 9201
7H-Benzo(c)fluorene
CID 9150
Indeno(1,2,3-hi)chrysene
CID 130669
2-Methylfluoranthene
CID 35702

Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene?
The IUPAC name of 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene (CID 158660658) is 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene.
What is the SMILES notation for 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene?
The canonical SMILES for 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene is CCc1ccc2c(c1)-c1cc(CC)ccc1C2.CCc1ccc2c(c1)-c1cccc(CC)c1C2.
What is the InChIKey of 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene?
The InChIKey is ICSGBSXRQDFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18/c1-3-12-5-7-14-11-15-8-6-13(4-2)10-17(15)16(14)9-12;1-3-12-8-9-14-11-17-13(4-2)6-5-7-15(17)16(14)10-12/h2*5-10H,3-4,11H2,1-2H3.
What are the key properties of 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene?
1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene has a molecular weight of 444.66 g/mol, XLogP of 8.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-9H-fluorene;3,6-diethyl-9H-fluorene is sourced from PubChem (CID 158660658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).