(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine

C34H23N3O — CID 90132148

IUPAC(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N/n1c2ccccc2c2c3oc4ccccc4c3ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H23N3O/c1-35-28(23-12-4-2-5-13-23)22-29(24-14-6-3-7-15-24)36-37-30-18-10-8-17-27(30)33-31(37)21-20-26-25-16-9-11-19-32(25)38-34(26)33/h2-22H,1H2/b28-22-,36-29+
InChIKeyBDZPWTVMWVSFRS-OYCGMNDNSA-N
MW489.58 g/mol
LogP8.69
Rot. Bonds5

About (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine

(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine (PubChem CID 90132148) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine
PubChem CID90132148
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine
SMILESC=N/C(=C\C(=N/n1c2ccccc2c2c3oc4ccccc4c3ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H23N3O/c1-35-28(23-12-4-2-5-13-23)22-29(24-14-6-3-7-15-24)36-37-30-18-10-8-17-27(30)33-31(37)21-20-26-25-16-9-11-19-32(25)38-34(26)33/h2-22H,1H2/b28-22-,36-29+
InChIKeyBDZPWTVMWVSFRS-OYCGMNDNSA-N
XLogP8.69
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3E)-hexa-1,3,5-trien-3-yl]-[1]benzofuro[3,2-c]carbazole
CID 144884875
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
4-([1]benzofuro[3,2-c]carbazol-5-yl)-6-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121307317
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
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
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
(Z)-2-[(Z)-3-([1]benzofuro[3,2-c]carbazol-5-yl)prop-1-enyl]-3-(carbazol-9-ylmethyl)but-2-enedinitrile
CID 166027815
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
5-[3-[(2E,4Z)-hexa-2,4-dien-2-yl]-5-phenylphenyl]-[1]benzofuro[3,2-c]carbazole
CID 130453288

Frequently Asked Questions

What is the IUPAC name of (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine?
The IUPAC name of (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine (CID 90132148) is (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine.
What is the SMILES notation for (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine?
The canonical SMILES for (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine is C=N/C(=C\C(=N/n1c2ccccc2c2c3oc4ccccc4c3ccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine?
The InChIKey is BDZPWTVMWVSFRS-OYCGMNDNSA-N. The full InChI is InChI=1S/C34H23N3O/c1-35-28(23-12-4-2-5-13-23)22-29(24-14-6-3-7-15-24)36-37-30-18-10-8-17-27(30)33-31(37)21-20-26-25-16-9-11-19-32(25)38-34(26)33/h2-22H,1H2/b28-22-,36-29+.
What are the key properties of (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine?
(E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine has a molecular weight of 489.58 g/mol, XLogP of 8.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,Z)-N-([1]benzofuro[3,2-c]carbazol-5-yl)-N'-methylidene-1,3-diphenylprop-2-ene-1,3-diimine is sourced from PubChem (CID 90132148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).