N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

C29H26N2 — CID 23015876

IUPACN-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/N=C/c2ccccc2-c2cccc3c2Cc2ccccc2-3)c(C)c1
InChIInChI=1S/C29H26N2/c1-19-15-20(2)29(21(3)16-19)31-30-18-23-10-5-7-12-25(23)27-14-8-13-26-24-11-6-4-9-22(24)17-28(26)27/h4-16,18,31H,17H2,1-3H3/b30-18+
InChIKeyHRKUZNYAUTVGRN-UXHLAJHPSA-N
MW402.54 g/mol
LogP7.30
Rot. Bonds4

About N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline

N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (PubChem CID 23015876) has the molecular formula C29H26N2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
PubChem CID23015876
Molecular FormulaC29H26N2
Molecular Weight402.54 g/mol
Exact Mass402.21
IUPAC NameN-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N/N=C/c2ccccc2-c2cccc3c2Cc2ccccc2-3)c(C)c1
InChIInChI=1S/C29H26N2/c1-19-15-20(2)29(21(3)16-19)31-30-18-23-10-5-7-12-25(23)27-14-8-13-26-24-11-6-4-9-22(24)17-28(26)27/h4-16,18,31H,17H2,1-3H3/b30-18+
InChIKeyHRKUZNYAUTVGRN-UXHLAJHPSA-N
XLogP7.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(fluoren-9-ylideneamino)-4-methylaniline;hydrochloride
CID 15945047
N-[(E)-[(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-ylidene]amino]aniline
CID 12213106
N-(9-fluorenylideneamino)-4-methylaniline
CID 4130822
N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]-4-methylaniline
CID 134164405
4-fluoro-N-[(E)-[7-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]-9,9-dimethylfluoren-2-yl]methylideneamino]aniline
CID 137394491
N-[(2-fluorophenyl)methylideneamino]-9H-fluoren-1-amine
CID 141330507
N-[(E)-[2-[2-[(E)-(phenylhydrazinylidene)methyl]phenyl]phenyl]methylideneamino]aniline
CID 15695519
3-Methyl-9-propyl-6,7-dihydro-1h-indeno[6,7,1-def]cinnoline
CID 129752046
9-Benzyl-3-methyl-6,7-dihydro-1h-indeno[6,7,1-def]cinnoline
CID 129752200
3-Diphenylindone phenyl-hydrazone
CID 129804191
N-[(E)-(2,3-difluorophenyl)methylideneamino]-9H-fluoren-2-amine
CID 177452207
N-[(E)-(3-fluorophenyl)methylideneamino]-9H-fluoren-2-amine
CID 177515155

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The IUPAC name of N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline (CID 23015876) is N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is Cc1cc(C)c(N/N=C/c2ccccc2-c2cccc3c2Cc2ccccc2-3)c(C)c1.
What is the InChIKey of N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
The InChIKey is HRKUZNYAUTVGRN-UXHLAJHPSA-N. The full InChI is InChI=1S/C29H26N2/c1-19-15-20(2)29(21(3)16-19)31-30-18-23-10-5-7-12-25(23)27-14-8-13-26-24-11-6-4-9-22(24)17-28(26)27/h4-16,18,31H,17H2,1-3H3/b30-18+.
What are the key properties of N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline?
N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline has a molecular weight of 402.54 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(9H-fluoren-1-yl)phenyl]methylideneamino]-2,4,6-trimethylaniline is sourced from PubChem (CID 23015876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).