11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene

C32H24 — CID 15494429

IUPAC11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C32H24/c1-2-10-22-20-32-30(27-15-7-8-16-28(27)31(32)19-21(22)9-1)18-17-29-25-13-5-3-11-23(25)24-12-4-6-14-26(24)29/h1-16,19-20,29-30H,17-18H2
InChIKeyBRQVMVVLEUINCM-UHFFFAOYSA-N
MW408.54 g/mol
LogP8.54
Rot. Bonds3

About 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene

11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene (PubChem CID 15494429) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene.

Molecular Properties

Compound Name11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene
PubChem CID15494429
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene
SMILESc1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2cc3ccccc3cc21
InChIInChI=1S/C32H24/c1-2-10-22-20-32-30(27-15-7-8-16-28(27)31(32)19-21(22)9-1)18-17-29-25-13-5-3-11-23(25)24-12-4-6-14-26(24)29/h1-16,19-20,29-30H,17-18H2
InChIKeyBRQVMVVLEUINCM-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene?
The IUPAC name of 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene (CID 15494429) is 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene.
What is the SMILES notation for 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene?
The canonical SMILES for 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene is c1ccc2c(c1)-c1ccccc1C2CCC1c2ccccc2-c2cc3ccccc3cc21.
What is the InChIKey of 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene?
The InChIKey is BRQVMVVLEUINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24/c1-2-10-22-20-32-30(27-15-7-8-16-28(27)31(32)19-21(22)9-1)18-17-29-25-13-5-3-11-23(25)24-12-4-6-14-26(24)29/h1-16,19-20,29-30H,17-18H2.
What are the key properties of 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene?
11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene has a molecular weight of 408.54 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene is sourced from PubChem (CID 15494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).