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

C46H27N4O2- — CID 163500503

IUPAC10-[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
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)[N-]C(c3c(-c4cccc5oc6cc7ccncc7cc6c45)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C46H27N4O2/c1-2-11-28(12-3-1)44-48-45(35-16-9-19-39-42(35)34-14-6-7-17-37(34)51-39)50-46(49-44)43-31-13-5-4-10-27(31)20-21-33(43)32-15-8-18-38-41(32)36-24-30-26-47-23-22-29(30)25-40(36)52-38/h1-26,45H/q-1
InChIKeyCUHVUGZDTYFRGN-UHFFFAOYSA-N
MW667.75 g/mol
LogP12.13
Rot. Bonds4

About 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

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 (PubChem CID 163500503) has the molecular formula C46H27N4O2- and a molecular weight of 667.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID163500503
Molecular FormulaC46H27N4O2-
Molecular Weight667.75 g/mol
Exact Mass667.21
IUPAC Name10-[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
SMILESc1ccc(C2=NC(c3cccc4oc5ccccc5c34)[N-]C(c3c(-c4cccc5oc6cc7ccncc7cc6c45)ccc4ccccc34)=N2)cc1
InChIInChI=1S/C46H27N4O2/c1-2-11-28(12-3-1)44-48-45(35-16-9-19-39-42(35)34-14-6-7-17-37(34)51-39)50-46(49-44)43-31-13-5-4-10-27(31)20-21-33(43)32-15-8-18-38-41(32)36-24-30-26-47-23-22-29(30)25-40(36)52-38/h1-26,45H/q-1
InChIKeyCUHVUGZDTYFRGN-UHFFFAOYSA-N
XLogP12.13
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.75
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
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
7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
CID 166502646
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
12-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166502522
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3cccc4oc5ccccc5c34)[N-]C(c3c(-c4cccc5oc6cc7ccncc7cc6c45)ccc4ccccc34)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is CUHVUGZDTYFRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N4O2/c1-2-11-28(12-3-1)44-48-45(35-16-9-19-39-42(35)34-14-6-7-17-37(34)51-39)50-46(49-44)43-31-13-5-4-10-27(31)20-21-33(43)32-15-8-18-38-41(32)36-24-30-26-47-23-22-29(30)25-40(36)52-38/h1-26,45H/q-1.
What are the key properties of 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?
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 has a molecular weight of 667.75 g/mol, XLogP of 12.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163500503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).