N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine

C33H24N2O — CID 166988428

IUPACN-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine
SMILESC=NC(=C)c1cccc(-c2cccc3oc4c(-n5c6c(c7ccccc75)C=CCC6)cccc4c23)c1
InChIInChI=1S/C33H24N2O/c1-21(34-2)22-10-7-11-23(20-22)24-14-9-19-31-32(24)27-15-8-18-30(33(27)36-31)35-28-16-5-3-12-25(28)26-13-4-6-17-29(26)35/h3-5,7-16,18-20H,1-2,6,17H2
InChIKeyRLDFNZBSWXAMPC-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.83
Rot. Bonds4

About N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine

N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine (PubChem CID 166988428) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine
PubChem CID166988428
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC NameN-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine
SMILESC=NC(=C)c1cccc(-c2cccc3oc4c(-n5c6c(c7ccccc75)C=CCC6)cccc4c23)c1
InChIInChI=1S/C33H24N2O/c1-21(34-2)22-10-7-11-23(20-22)24-14-9-19-31-32(24)27-15-8-18-30(33(27)36-31)35-28-16-5-3-12-25(28)26-13-4-6-17-29(26)35/h3-5,7-16,18-20H,1-2,6,17H2
InChIKeyRLDFNZBSWXAMPC-UHFFFAOYSA-N
XLogP8.83
TPSA30.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
9-[9-(2-phenyl-1,2-dihydroquinazolin-4-yl)dibenzofuran-4-yl]-1,2-dihydrocarbazole
CID 167200869
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
4-phenyl-2-[6-(5-phenyl-3,4-dihydrobenzo[c]carbazol-7-yl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 166701927
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281
9-[6-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 134388922
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 144782067
N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 155323237
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine?
The IUPAC name of N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine (CID 166988428) is N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine.
What is the SMILES notation for N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine?
The canonical SMILES for N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine is C=NC(=C)c1cccc(-c2cccc3oc4c(-n5c6c(c7ccccc75)C=CCC6)cccc4c23)c1.
What is the InChIKey of N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine?
The InChIKey is RLDFNZBSWXAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c1-21(34-2)22-10-7-11-23(20-22)24-14-9-19-31-32(24)27-15-8-18-30(33(27)36-31)35-28-16-5-3-12-25(28)26-13-4-6-17-29(26)35/h3-5,7-16,18-20H,1-2,6,17H2.
What are the key properties of N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine?
N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine has a molecular weight of 464.57 g/mol, XLogP of 8.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[6-(1,2-dihydrocarbazol-9-yl)dibenzofuran-1-yl]phenyl]ethenyl]methanimine is sourced from PubChem (CID 166988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).