[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine

C26H17N3O — CID 121307130

IUPAC[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine
SMILES[H]/N=C/c1cc(/C=N/[H])cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C26H17N3O/c27-14-16-11-17(15-28)13-18(12-16)29-22-7-3-1-6-21(22)25-23(29)10-9-20-19-5-2-4-8-24(19)30-26(20)25/h1-15,27-28H/b27-14+,28-15+
InChIKeyCVUAGBBZEMBOAL-VNRWOIRSSA-N
MW387.44 g/mol
LogP6.68
Rot. Bonds3

About [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine

[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine (PubChem CID 121307130) has the molecular formula C26H17N3O and a molecular weight of 387.44 g/mol. Its IUPAC name is [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine.

Molecular Properties

Compound Name[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine
PubChem CID121307130
Molecular FormulaC26H17N3O
Molecular Weight387.44 g/mol
Exact Mass387.14
IUPAC Name[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine
SMILES[H]/N=C/c1cc(/C=N/[H])cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1
InChIInChI=1S/C26H17N3O/c27-14-16-11-17(15-28)13-18(12-16)29-22-7-3-1-6-21(22)25-23(29)10-9-20-19-5-2-4-8-24(19)30-26(20)25/h1-15,27-28H/b27-14+,28-15+
InChIKeyCVUAGBBZEMBOAL-VNRWOIRSSA-N
XLogP6.68
TPSA65.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
5-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 171612138
[4-methanimidoyl-3-(2-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]methanimine
CID 121307442
buta-1,3-diene;6-(9-dibenzofuran-4-ylcarbazol-3-yl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 144670218
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
6-([1]benzofuro[3,2-c]carbazol-5-yl)-3-carbazol-9-yl-2-methanimidoylbenzonitrile
CID 121307110
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 129299096
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291151

Frequently Asked Questions

What is the IUPAC name of [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine?
The IUPAC name of [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine (CID 121307130) is [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine.
What is the SMILES notation for [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine?
The canonical SMILES for [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine is [H]/N=C/c1cc(/C=N/[H])cc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.
What is the InChIKey of [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine?
The InChIKey is CVUAGBBZEMBOAL-VNRWOIRSSA-N. The full InChI is InChI=1S/C26H17N3O/c27-14-16-11-17(15-28)13-18(12-16)29-22-7-3-1-6-21(22)25-23(29)10-9-20-19-5-2-4-8-24(19)30-26(20)25/h1-15,27-28H/b27-14+,28-15+.
What are the key properties of [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine?
[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine has a molecular weight of 387.44 g/mol, XLogP of 6.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-methanimidoylphenyl]methanimine is sourced from PubChem (CID 121307130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).