N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide

C29H24N2 — CID 145016929

IUPACN'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide
SMILESCc1cccc(C(/N=C/c2cccc3c2-c2ccccc2C3)=N\Cc2ccccc2)c1
InChIInChI=1S/C29H24N2/c1-21-9-7-14-25(17-21)29(30-19-22-10-3-2-4-11-22)31-20-26-15-8-13-24-18-23-12-5-6-16-27(23)28(24)26/h2-17,20H,18-19H2,1H3/b30-29+,31-20+
InChIKeyPZEJPLGNTRMPDK-LOZBMQSSSA-N
MW400.53 g/mol
LogP6.63
Rot. Bonds4

About N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide

N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide (PubChem CID 145016929) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide
PubChem CID145016929
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC NameN'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide
SMILESCc1cccc(C(/N=C/c2cccc3c2-c2ccccc2C3)=N\Cc2ccccc2)c1
InChIInChI=1S/C29H24N2/c1-21-9-7-14-25(17-21)29(30-19-22-10-3-2-4-11-22)31-20-26-15-8-13-24-18-23-12-5-6-16-27(23)28(24)26/h2-17,20H,18-19H2,1H3/b30-29+,31-20+
InChIKeyPZEJPLGNTRMPDK-LOZBMQSSSA-N
XLogP6.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide (CID 145016929) is N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide is Cc1cccc(C(/N=C/c2cccc3c2-c2ccccc2C3)=N\Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide?
The InChIKey is PZEJPLGNTRMPDK-LOZBMQSSSA-N. The full InChI is InChI=1S/C29H24N2/c1-21-9-7-14-25(17-21)29(30-19-22-10-3-2-4-11-22)31-20-26-15-8-13-24-18-23-12-5-6-16-27(23)28(24)26/h2-17,20H,18-19H2,1H3/b30-29+,31-20+.
What are the key properties of N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide?
N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide has a molecular weight of 400.53 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(9H-fluoren-4-ylmethylidene)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 145016929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).