N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine

C28H20N2 — CID 25186093

IUPACN-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine
SMILESc1ccc2c(c1)C(=NCCN=C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H20N2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)29-17-18-30-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyQXIVMIXEIOQZJI-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.02
Rot. Bonds3

About N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine

N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine (PubChem CID 25186093) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine.

Molecular Properties

Compound NameN-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine
PubChem CID25186093
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC NameN-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine
SMILESc1ccc2c(c1)C(=NCCN=C1c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C28H20N2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)29-17-18-30-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2
InChIKeyQXIVMIXEIOQZJI-UHFFFAOYSA-N
XLogP6.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(fluoren-9-ylideneamino)ethyl]acetamide
CID 154187411
biphenylene;hydron
CID 173077542
N-(fluoren-9-ylideneamino)methanamine
CID 14472712
ethane;N-propan-2-ylfluoren-9-imine
CID 157220369
9-(2-fluoren-9-ylideneethenylidene)fluorene
CID 13353203
N-(1,2,4-triazol-4-yl)fluoren-9-imine
CID 2312923
fluoranthene
CID 139203734
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
(fluoren-9-ylideneamino) sulfate
CID 3696865
(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
CID 5381807
phenanthrene-9,10-dione
CID 6763
cyclopenta[a]pentalen-7-one
CID 141309735

Frequently Asked Questions

What is the IUPAC name of N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine?
The IUPAC name of N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine (CID 25186093) is N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine.
What is the SMILES notation for N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine?
The canonical SMILES for N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine is c1ccc2c(c1)C(=NCCN=C1c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine?
The InChIKey is QXIVMIXEIOQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)27(23)29-17-18-30-28-25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-16H,17-18H2.
What are the key properties of N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine?
N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine has a molecular weight of 384.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(fluoren-9-ylideneamino)ethyl]fluoren-9-imine is sourced from PubChem (CID 25186093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).