N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine

C30H27N — CID 123528548

IUPACN-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine
SMILESCC1(C)C=CC2=C(/N=C3\c4ccccc4C4=CC(C)(C)C=CC43)c3ccccc3C2=C1
InChIInChI=1S/C30H27N/c1-29(2)15-13-23-25(17-29)19-9-5-7-11-21(19)27(23)31-28-22-12-8-6-10-20(22)26-18-30(3,4)16-14-24(26)28/h5-18,23H,1-4H3/b31-27+
InChIKeyHOUXLEFVMVEGJJ-TVKQRKNISA-N
MW401.55 g/mol
LogP7.49
Rot. Bonds1

About N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine

N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine (PubChem CID 123528548) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine.

Molecular Properties

Compound NameN-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine
PubChem CID123528548
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC NameN-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine
SMILESCC1(C)C=CC2=C(/N=C3\c4ccccc4C4=CC(C)(C)C=CC43)c3ccccc3C2=C1
InChIInChI=1S/C30H27N/c1-29(2)15-13-23-25(17-29)19-9-5-7-11-21(19)27(23)31-28-22-12-8-6-10-20(22)26-18-30(3,4)16-14-24(26)28/h5-18,23H,1-4H3/b31-27+
InChIKeyHOUXLEFVMVEGJJ-TVKQRKNISA-N
XLogP7.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine?
The IUPAC name of N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine (CID 123528548) is N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine.
What is the SMILES notation for N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine?
The canonical SMILES for N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine is CC1(C)C=CC2=C(/N=C3\c4ccccc4C4=CC(C)(C)C=CC43)c3ccccc3C2=C1.
What is the InChIKey of N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine?
The InChIKey is HOUXLEFVMVEGJJ-TVKQRKNISA-N. The full InChI is InChI=1S/C30H27N/c1-29(2)15-13-23-25(17-29)19-9-5-7-11-21(19)27(23)31-28-22-12-8-6-10-20(22)26-18-30(3,4)16-14-24(26)28/h5-18,23H,1-4H3/b31-27+.
What are the key properties of N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine?
N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine has a molecular weight of 401.55 g/mol, XLogP of 7.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylfluoren-9-yl)-6,6-dimethyl-8aH-fluoren-9-imine is sourced from PubChem (CID 123528548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).