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

C42H25N4O2- — CID 159447351

IUPAC10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(C2=NC(c3ccccc3-c3cccc4oc5cc6cccnc6cc5c34)=NC(c3cccc4oc5ccccc5c34)[N-]2)cc1
InChIInChI=1S/C42H25N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-9-21-36-39(31)30-16-6-7-19-34(30)47-36)29-15-5-4-14-27(29)28-17-8-20-35-38(28)32-24-33-26(13-10-22-43-33)23-37(32)48-35/h1-24,42H/q-1
InChIKeyLSXPXVBSQOYJDL-UHFFFAOYSA-N
MW617.69 g/mol
LogP10.98
Rot. Bonds4

About 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

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 (PubChem CID 159447351) has the molecular formula C42H25N4O2- and a molecular weight of 617.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzofuro[2,3-g]quinoline
PubChem CID159447351
Molecular FormulaC42H25N4O2-
Molecular Weight617.69 g/mol
Exact Mass617.20
IUPAC Name10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3-diaza-5-azanidacyclohexa-2,6-dien-2-yl)phenyl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(C2=NC(c3ccccc3-c3cccc4oc5cc6cccnc6cc5c34)=NC(c3cccc4oc5ccccc5c34)[N-]2)cc1
InChIInChI=1S/C42H25N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-9-21-36-39(31)30-16-6-7-19-34(30)47-36)29-15-5-4-14-27(29)28-17-8-20-35-38(28)32-24-33-26(13-10-22-43-33)23-37(32)48-35/h1-24,42H/q-1
InChIKeyLSXPXVBSQOYJDL-UHFFFAOYSA-N
XLogP10.98
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.69
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502591
10-[2-(4,6-diphenyl-1,5-diaza-3-azanidacyclohexa-1,5-dien-2-yl)phenyl]-7-naphthalen-2-yl-[1]benzofuro[2,3-g]quinoline
CID 163448310
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
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
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
CID 163605494
10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 163478482
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502716
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3-c3cccc4oc5cc6cccnc6cc5c34)=NC(c3cccc4oc5ccccc5c34)[N-]2)cc1.
What is the InChIKey of 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?
The InChIKey is LSXPXVBSQOYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N4O2/c1-2-11-25(12-3-1)40-44-41(46-42(45-40)31-18-9-21-36-39(31)30-16-6-7-19-34(30)47-36)29-15-5-4-14-27(29)28-17-8-20-35-38(28)32-24-33-26(13-10-22-43-33)23-37(32)48-35/h1-24,42H/q-1.
What are the key properties of 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?
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 has a molecular weight of 617.69 g/mol, XLogP of 10.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159447351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).