N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran

C62H53NO — CID 145447202

IUPACN-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran
SMILESC=NCc1ccccc1.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cccc(-c2cccc3oc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c23)c1
InChIInChI=1S/C37H24O.C15H14.C8H9N.C2H6/c1-23-8-6-9-26(20-23)27-14-7-15-36-37(27)34-22-25(17-19-35(34)38-36)24-16-18-32-30-12-3-2-10-28(30)29-11-4-5-13-31(29)33(32)21-24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-9-7-8-5-3-2-4-6-8;1-2/h2-22H,1H3;3-10H,1-2H3;2-6H,1,7H2;1-2H3
InChIKeyPJWSVTVFYQBWDR-UHFFFAOYSA-N
MW828.11 g/mol
LogP17.59
Rot. Bonds4

About N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran

N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran (PubChem CID 145447202) has the molecular formula C62H53NO and a molecular weight of 828.11 g/mol. Its IUPAC name is N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran.

Molecular Properties

Compound NameN-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran
PubChem CID145447202
Molecular FormulaC62H53NO
Molecular Weight828.11 g/mol
Exact Mass827.41
IUPAC NameN-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran
SMILESC=NCc1ccccc1.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cccc(-c2cccc3oc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c23)c1
InChIInChI=1S/C37H24O.C15H14.C8H9N.C2H6/c1-23-8-6-9-26(20-23)27-14-7-15-36-37(27)34-22-25(17-19-35(34)38-36)24-16-18-32-30-12-3-2-10-28(30)29-11-4-5-13-31(29)33(32)21-24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-9-7-8-5-3-2-4-6-8;1-2/h2-22H,1H3;3-10H,1-2H3;2-6H,1,7H2;1-2H3
InChIKeyPJWSVTVFYQBWDR-UHFFFAOYSA-N
XLogP17.59
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.11
LogP ≤ 517.59
H-Bond Donors ≤ 50
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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Related Compounds

2-(9,9-dimethylfluoren-3-yl)-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134199124
N-[amino(phenyl)methylidene]-9,9-dimethylfluorene-2-carboximidamide;1-(3-methylphenyl)-8-phenanthren-3-yldibenzofuran
CID 145447143
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
1-dibenzofuran-3-yl-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 140907201
3-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;4-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-1-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-2-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-3-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran;7,7-dimethyl-4-triphenylen-2-ylfluoreno[2,3-b][1]benzofuran
CID 160855811
2-[3-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292164
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
CID 159095714
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966

Frequently Asked Questions

What is the IUPAC name of N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran?
The IUPAC name of N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran (CID 145447202) is N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran.
What is the SMILES notation for N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran?
The canonical SMILES for N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran is C=NCc1ccccc1.CC.CC1(C)c2ccccc2-c2ccccc21.Cc1cccc(-c2cccc3oc4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4c23)c1.
What is the InChIKey of N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran?
The InChIKey is PJWSVTVFYQBWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24O.C15H14.C8H9N.C2H6/c1-23-8-6-9-26(20-23)27-14-7-15-36-37(27)34-22-25(17-19-35(34)38-36)24-16-18-32-30-12-3-2-10-28(30)29-11-4-5-13-31(29)33(32)21-24;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-9-7-8-5-3-2-4-6-8;1-2/h2-22H,1H3;3-10H,1-2H3;2-6H,1,7H2;1-2H3.
What are the key properties of N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran?
N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran has a molecular weight of 828.11 g/mol, XLogP of 17.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylmethanimine;9,9-dimethylfluorene;ethane;1-(3-methylphenyl)-8-triphenylen-2-yldibenzofuran is sourced from PubChem (CID 145447202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).