9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one

C23H18N4O — CID 10872255

IUPAC9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one
SMILESCc1ccc(/N=C2C(=N\c3ccc(C)cc3)/n3c(=O)n/2c2ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-15-7-11-17(12-8-15)24-21-22(25-18-13-9-16(2)10-14-18)27-20-6-4-3-5-19(20)26(21)23(27)28/h3-14H,1-2H3/b24-21-,25-22+
InChIKeyMBIYHNKBVAMQQF-KJQPNGKASA-N
MW366.42 g/mol
LogP4.59
Rot. Bonds2

About 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one

9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one (PubChem CID 10872255) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one.

Molecular Properties

Compound Name9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one
PubChem CID10872255
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one
SMILESCc1ccc(/N=C2C(=N\c3ccc(C)cc3)/n3c(=O)n/2c2ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-15-7-11-17(12-8-15)24-21-22(25-18-13-9-16(2)10-14-18)27-20-6-4-3-5-19(20)26(21)23(27)28/h3-14H,1-2H3/b24-21-,25-22+
InChIKeyMBIYHNKBVAMQQF-KJQPNGKASA-N
XLogP4.59
TPSA51.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris(4-methylphenyl)-1,3,5-triazinane-2,4,6-trione
CID 584033
1,3-diphenylbenzimidazol-2-one
CID 22323486
3-(4-methylphenyl)iminoisoindol-1-one
CID 135932532
isocyanatobenzene;1-isocyanato-4-methylbenzene
CID 20510749
6-hydroxy-5-[(4-methylphenyl)diazenyl]-1,3-diphenylpyrimidine-2,4-dione
CID 135726525
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
ethyl 2-methyl-3,4-bis[(4-methylphenyl)imino]diazetidine-1-carboxylate
CID 101398608
(5Z)-3-methyl-2-(4-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 88888408
2,5-dimethyl-4-(4-methylphenyl)iminocyclohexa-2,5-dien-1-one
CID 132567956
bis(4-methylphenyl)diazene
CID 10389
7-(4-methylphenyl)imino-4,5-diphenyl-1,4-thiazepin-3-one
CID 11101054
1-[4-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[3-[3-[4-[3,5-bis(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-oxobenzimidazol-1-yl]phenyl]benzimidazol-2-one;1-[4-(N-(4-methylphenyl)anilino)phenyl]-3-[4-[3-[4-(N-(4-methylphenyl)anilino)phenyl]-2-oxobenzimidazol-1-yl]phenyl]benzimidazol-2-one;1-[3-[4-[4-[3-(2-oxo-3-phenylbenzimidazol-1-yl)phenyl]-N-[4-[3-(2-oxo-3-phenylbenzimidazol-1-yl)phenyl]phenyl]anilino]phenyl]phenyl]-3-phenylbenzimidazol-2-one
CID 158210047

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one?
The IUPAC name of 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one (CID 10872255) is 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one.
What is the SMILES notation for 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one?
The canonical SMILES for 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one is Cc1ccc(/N=C2C(=N\c3ccc(C)cc3)/n3c(=O)n/2c2ccccc23)cc1.
What is the InChIKey of 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one?
The InChIKey is MBIYHNKBVAMQQF-KJQPNGKASA-N. The full InChI is InChI=1S/C23H18N4O/c1-15-7-11-17(12-8-15)24-21-22(25-18-13-9-16(2)10-14-18)27-20-6-4-3-5-19(20)26(21)23(27)28/h3-14H,1-2H3/b24-21-,25-22+.
What are the key properties of 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one?
9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one has a molecular weight of 366.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[(4-methylphenyl)imino]-1,8-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-one is sourced from PubChem (CID 10872255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).