9-ethyl-6-fluoren-9-ylidene-8aH-carbazole

C27H21N — CID 66603025

IUPAC9-ethyl-6-fluoren-9-ylidene-8aH-carbazole
SMILESCCN1c2ccccc2C2=CC(=C3c4ccccc4-c4ccccc43)C=CC21
InChIInChI=1S/C27H21N/c1-2-28-25-14-8-7-11-21(25)24-17-18(15-16-26(24)28)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)27/h3-17,26H,2H2,1H3
InChIKeyTVNFCYXQGKGATD-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.33
Rot. Bonds1

About 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole

9-ethyl-6-fluoren-9-ylidene-8aH-carbazole (PubChem CID 66603025) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole.

Molecular Properties

Compound Name9-ethyl-6-fluoren-9-ylidene-8aH-carbazole
PubChem CID66603025
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name9-ethyl-6-fluoren-9-ylidene-8aH-carbazole
SMILESCCN1c2ccccc2C2=CC(=C3c4ccccc4-c4ccccc43)C=CC21
InChIInChI=1S/C27H21N/c1-2-28-25-14-8-7-11-21(25)24-17-18(15-16-26(24)28)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)27/h3-17,26H,2H2,1H3
InChIKeyTVNFCYXQGKGATD-UHFFFAOYSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole?
The IUPAC name of 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole (CID 66603025) is 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole.
What is the SMILES notation for 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole?
The canonical SMILES for 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole is CCN1c2ccccc2C2=CC(=C3c4ccccc4-c4ccccc43)C=CC21.
What is the InChIKey of 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole?
The InChIKey is TVNFCYXQGKGATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-2-28-25-14-8-7-11-21(25)24-17-18(15-16-26(24)28)27-22-12-5-3-9-19(22)20-10-4-6-13-23(20)27/h3-17,26H,2H2,1H3.
What are the key properties of 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole?
9-ethyl-6-fluoren-9-ylidene-8aH-carbazole has a molecular weight of 359.47 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-fluoren-9-ylidene-8aH-carbazole is sourced from PubChem (CID 66603025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).