14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one

C31H19NO2 — CID 142322053

IUPAC14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one
SMILESC=Cc1c(C=C)n2c(=O)c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)cc1c32
InChIInChI=1S/C31H19NO2/c1-3-19-25-16-18(20-13-9-14-23-22-11-7-8-15-28(22)34-30(20)23)17-26-21-10-5-6-12-24(21)31(33)32(29(25)26)27(19)4-2/h3-17H,1-2H2
InChIKeyGEIZMJCKJDMOTI-UHFFFAOYSA-N
MW437.50 g/mol
LogP7.90
Rot. Bonds3

About 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one

14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one (PubChem CID 142322053) has the molecular formula C31H19NO2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one.

Molecular Properties

Compound Name14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one
PubChem CID142322053
Molecular FormulaC31H19NO2
Molecular Weight437.50 g/mol
Exact Mass437.14
IUPAC Name14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one
SMILESC=Cc1c(C=C)n2c(=O)c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)cc1c32
InChIInChI=1S/C31H19NO2/c1-3-19-25-16-18(20-13-9-14-23-22-11-7-8-15-28(22)34-30(20)23)17-26-21-10-5-6-12-24(21)31(33)32(29(25)26)27(19)4-2/h3-17H,1-2H2
InChIKeyGEIZMJCKJDMOTI-UHFFFAOYSA-N
XLogP7.90
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one with MolForge

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
CID 121242458
16-[4-(5-dibenzofuran-4-yl-19-oxo-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-10-yl)dibenzofuran-1-yl]-5,10-bis(9,9-dimethylfluoren-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 146620727
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-[3-dibenzofuran-4-yl-5-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;(3Z)-hexa-1,3,5-triene
CID 144795077
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
CID 58568876
11-dibenzofuran-2-yl-5,17-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390329
4-(3-bromo-5-dibenzofuran-4-ylphenyl)dibenzofuran;methane
CID 142380453
3-dibenzofuran-4-ylnaphthalen-1-amine
CID 118534182
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-[3-bromo-5-(3,5-diphenylphenyl)phenyl]dibenzofuran
CID 142380750
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663

Frequently Asked Questions

What is the IUPAC name of 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one?
The IUPAC name of 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one (CID 142322053) is 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one.
What is the SMILES notation for 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one?
The canonical SMILES for 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one is C=Cc1c(C=C)n2c(=O)c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)cc1c32.
What is the InChIKey of 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one?
The InChIKey is GEIZMJCKJDMOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO2/c1-3-19-25-16-18(20-13-9-14-23-22-11-7-8-15-28(22)34-30(20)23)17-26-21-10-5-6-12-24(21)31(33)32(29(25)26)27(19)4-2/h3-17H,1-2H2.
What are the key properties of 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one?
14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one has a molecular weight of 437.50 g/mol, XLogP of 7.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-dibenzofuran-4-yl-10,11-bis(ethenyl)-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one is sourced from PubChem (CID 142322053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).