N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine

C40H29FN2 — CID 145340881

IUPACN-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine
SMILES[H]/N=C/c1c(Nc2ccc3c4ccccc4c4ccccc4c3c2)ccc2c1C(C)(C)c1ccc(-c3ccc(F)cc3)cc1-2
InChIInChI=1S/C40H29FN2/c1-40(2)37-19-13-25(24-11-14-26(41)15-12-24)21-35(37)33-18-20-38(36(23-42)39(33)40)43-27-16-17-32-30-9-4-3-7-28(30)29-8-5-6-10-31(29)34(32)22-27/h3-23,42-43H,1-2H3/b42-23+
InChIKeyOSQSKXKRJFEDCP-SNDAAJCPSA-N
MW556.68 g/mol
LogP11.00
Rot. Bonds4

About N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine

N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine (PubChem CID 145340881) has the molecular formula C40H29FN2 and a molecular weight of 556.68 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine
PubChem CID145340881
Molecular FormulaC40H29FN2
Molecular Weight556.68 g/mol
Exact Mass556.23
IUPAC NameN-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine
SMILES[H]/N=C/c1c(Nc2ccc3c4ccccc4c4ccccc4c3c2)ccc2c1C(C)(C)c1ccc(-c3ccc(F)cc3)cc1-2
InChIInChI=1S/C40H29FN2/c1-40(2)37-19-13-25(24-11-14-26(41)15-12-24)21-35(37)33-18-20-38(36(23-42)39(33)40)43-27-16-17-32-30-9-4-3-7-28(30)29-8-5-6-10-31(29)34(32)22-27/h3-23,42-43H,1-2H3/b42-23+
InChIKeyOSQSKXKRJFEDCP-SNDAAJCPSA-N
XLogP11.00
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.68
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine?
The IUPAC name of N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine (CID 145340881) is N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine.
What is the SMILES notation for N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine?
The canonical SMILES for N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine is [H]/N=C/c1c(Nc2ccc3c4ccccc4c4ccccc4c3c2)ccc2c1C(C)(C)c1ccc(-c3ccc(F)cc3)cc1-2.
What is the InChIKey of N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine?
The InChIKey is OSQSKXKRJFEDCP-SNDAAJCPSA-N. The full InChI is InChI=1S/C40H29FN2/c1-40(2)37-19-13-25(24-11-14-26(41)15-12-24)21-35(37)33-18-20-38(36(23-42)39(33)40)43-27-16-17-32-30-9-4-3-7-28(30)29-8-5-6-10-31(29)34(32)22-27/h3-23,42-43H,1-2H3/b42-23+.
What are the key properties of N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine?
N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine has a molecular weight of 556.68 g/mol, XLogP of 11.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-1-methanimidoyl-9,9-dimethylfluoren-2-yl]triphenylen-2-amine is sourced from PubChem (CID 145340881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).