2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene

C39H26N3O- — CID 163683464

IUPAC2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3)oc3ccccc34)=N2)cc1
InChIInChI=1S/C39H26N3O/c1-4-13-26(14-5-1)29-19-12-20-30(23-29)33-24-31(25-35-36(33)32-21-10-11-22-34(32)43-35)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28/h1-25,37H/q-1
InChIKeyJMUOYUPLGNBBNF-UHFFFAOYSA-N
MW552.66 g/mol
LogP10.20
Rot. Bonds5

About 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene

2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene (PubChem CID 163683464) has the molecular formula C39H26N3O- and a molecular weight of 552.66 g/mol. Its IUPAC name is 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene.

Molecular Properties

Compound Name2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
PubChem CID163683464
Molecular FormulaC39H26N3O-
Molecular Weight552.66 g/mol
Exact Mass552.21
IUPAC Name2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3)oc3ccccc34)=N2)cc1
InChIInChI=1S/C39H26N3O/c1-4-13-26(14-5-1)29-19-12-20-30(23-29)33-24-31(25-35-36(33)32-21-10-11-22-34(32)43-35)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28/h1-25,37H/q-1
InChIKeyJMUOYUPLGNBBNF-UHFFFAOYSA-N
XLogP10.20
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.66
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-[6,8-bis(4-phenylphenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3-diaza-5-azanidacyclohexa-2,6-diene
CID 142343054
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
CID 163727912
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
1-(4-dibenzofuran-3-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-4,6-dien-2-yl)dibenzofuran-3-carbonitrile
CID 163629264
2-chrysen-3-yl-4-dibenzofuran-2-yl-6-phenyl-1,5-diaza-3-azanidacyclohexa-1,5-diene
CID 163721047
2-(3,5-diphenylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259859
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-3-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 170378796
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The IUPAC name of 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene (CID 163683464) is 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene.
What is the SMILES notation for 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The canonical SMILES for 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene is c1ccc(C2=NC(c3ccccc3)[N-]C(c3cc(-c4cccc(-c5ccccc5)c4)c4c(c3)oc3ccccc34)=N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene?
The InChIKey is JMUOYUPLGNBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N3O/c1-4-13-26(14-5-1)29-19-12-20-30(23-29)33-24-31(25-35-36(33)32-21-10-11-22-34(32)43-35)39-41-37(27-15-6-2-7-16-27)40-38(42-39)28-17-8-3-9-18-28/h1-25,37H/q-1.
What are the key properties of 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene?
2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene has a molecular weight of 552.66 g/mol, XLogP of 10.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[1-(3-phenylphenyl)dibenzofuran-3-yl]-3,5-diaza-1-azanidacyclohexa-3,5-diene is sourced from PubChem (CID 163683464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).