N,10-dibenzylacridin-9-imine

C27H22N2 — CID 71402054

IUPACN,10-dibenzylacridin-9-imine
SMILESc1ccc(CN=c2c3ccccc3n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H22N2/c1-3-11-21(12-4-1)19-28-27-23-15-7-9-17-25(23)29(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
InChIKeyMOPJONRLFSIRQB-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.94
Rot. Bonds4

About N,10-dibenzylacridin-9-imine

N,10-dibenzylacridin-9-imine (PubChem CID 71402054) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N,10-dibenzylacridin-9-imine.

Molecular Properties

Compound NameN,10-dibenzylacridin-9-imine
PubChem CID71402054
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN,10-dibenzylacridin-9-imine
SMILESc1ccc(CN=c2c3ccccc3n(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H22N2/c1-3-11-21(12-4-1)19-28-27-23-15-7-9-17-25(23)29(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2
InChIKeyMOPJONRLFSIRQB-UHFFFAOYSA-N
XLogP5.94
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
1-benzylindole-2,3-diamine
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CID 15206746
9-benzyl-2-bromocarbazole
CID 123133636
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
9-benzyl-3-chlorocarbazol-4-ol
CID 18671656
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-benzyl-3-[(E)-prop-1-enyl]carbazole
CID 89489502
1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
CID 563323
1-benzyl-2-phenylquinoline-4-thione
CID 11381842

Frequently Asked Questions

What is the IUPAC name of N,10-dibenzylacridin-9-imine?
The IUPAC name of N,10-dibenzylacridin-9-imine (CID 71402054) is N,10-dibenzylacridin-9-imine.
What is the SMILES notation for N,10-dibenzylacridin-9-imine?
The canonical SMILES for N,10-dibenzylacridin-9-imine is c1ccc(CN=c2c3ccccc3n(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N,10-dibenzylacridin-9-imine?
The InChIKey is MOPJONRLFSIRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-3-11-21(12-4-1)19-28-27-23-15-7-9-17-25(23)29(20-22-13-5-2-6-14-22)26-18-10-8-16-24(26)27/h1-18H,19-20H2.
What are the key properties of N,10-dibenzylacridin-9-imine?
N,10-dibenzylacridin-9-imine has a molecular weight of 374.49 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,10-dibenzylacridin-9-imine is sourced from PubChem (CID 71402054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).