1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile

C34H19N4O2- — CID 163629264

IUPAC1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(C2N=C(c3ccccc3)N=C(c3ccc4c(c3)oc3ccccc34)[N-]2)c2c(c1)oc1ccccc12
InChIInChI=1S/C34H19N4O2/c35-19-20-16-26(31-25-11-5-7-13-28(25)40-30(31)17-20)34-37-32(21-8-2-1-3-9-21)36-33(38-34)22-14-15-24-23-10-4-6-12-27(23)39-29(24)18-22/h1-18,34H/q-1
InChIKeyHUQUYXZCQYSDRP-UHFFFAOYSA-N
MW515.55 g/mol
LogP8.64
Rot. Bonds3

About 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile

1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile (PubChem CID 163629264) has the molecular formula C34H19N4O2- and a molecular weight of 515.55 g/mol. Its IUPAC name is 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile
PubChem CID163629264
Molecular FormulaC34H19N4O2-
Molecular Weight515.55 g/mol
Exact Mass515.15
IUPAC Name1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile
SMILESN#Cc1cc(C2N=C(c3ccccc3)N=C(c3ccc4c(c3)oc3ccccc34)[N-]2)c2c(c1)oc1ccccc12
InChIInChI=1S/C34H19N4O2/c35-19-20-16-26(31-25-11-5-7-13-28(25)40-30(31)17-20)34-37-32(21-8-2-1-3-9-21)36-33(38-34)22-14-15-24-23-10-4-6-12-27(23)39-29(24)18-22/h1-18,34H/q-1
InChIKeyHUQUYXZCQYSDRP-UHFFFAOYSA-N
XLogP8.64
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[1-(4,6-diphenyl-3,5-diaza-1-azanidacyclohexa-3,5-dien-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 163990116
2-chrysen-3-yl-4-dibenzofuran-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 163721047
2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
CID 163683464
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
CID 163727912
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
5-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzene-1,3-dicarbonitrile
CID 168774671
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzofuro[2,3-g]quinoline
CID 159447351
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-3,5-diaza-1-azanidacyclohexa-2,4-dien-2-yl]dibenzofuran-4-yl]carbazole
CID 163944864
3-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1,3,5,7,9,11,13,15,17,19-decaen-11-yl]benzonitrile
CID 164785022
4-[4-[4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774820
4-[3-[dibenzofuran-3-yl(diphenyl)silyl]phenyl]benzonitrile
CID 174005051
10-[1-(4-dibenzofuran-1-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 163500503

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile?
The IUPAC name of 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile (CID 163629264) is 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile.
What is the SMILES notation for 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile?
The canonical SMILES for 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile is N#Cc1cc(C2N=C(c3ccccc3)N=C(c3ccc4c(c3)oc3ccccc34)[N-]2)c2c(c1)oc1ccccc12.
What is the InChIKey of 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile?
The InChIKey is HUQUYXZCQYSDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N4O2/c35-19-20-16-26(31-25-11-5-7-13-28(25)40-30(31)17-20)34-37-32(21-8-2-1-3-9-21)36-33(38-34)22-14-15-24-23-10-4-6-12-27(23)39-29(24)18-22/h1-18,34H/q-1.
What are the key properties of 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile?
1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile has a molecular weight of 515.55 g/mol, XLogP of 8.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile is sourced from PubChem (CID 163629264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).