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

C46H29N4O- — CID 163448310

IUPAC10-[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
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6cccnc6cc5c34)=N2)cc1
InChIInChI=1S/C46H29N4O/c1-3-13-30(14-4-1)44-48-45(31-15-5-2-6-16-31)50-46(49-44)38-20-10-9-19-36(38)37-24-23-35(33-22-21-29-12-7-8-17-32(29)26-33)43-42(37)39-28-40-34(18-11-25-47-40)27-41(39)51-43/h1-28,44H/q-1
InChIKeyBEKILJDPBFXDKT-UHFFFAOYSA-N
MW653.77 g/mol
LogP11.90
Rot. Bonds5

About 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

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 (PubChem CID 163448310) has the molecular formula C46H29N4O- and a molecular weight of 653.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID163448310
Molecular FormulaC46H29N4O-
Molecular Weight653.77 g/mol
Exact Mass653.23
IUPAC Name10-[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
SMILESc1ccc(C2=NC(c3ccccc3)[N-]C(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6cccnc6cc5c34)=N2)cc1
InChIInChI=1S/C46H29N4O/c1-3-13-30(14-4-1)44-48-45(31-15-5-2-6-16-31)50-46(49-44)38-20-10-9-19-36(38)37-24-23-35(33-22-21-29-12-7-8-17-32(29)26-33)43-42(37)39-28-40-34(18-11-25-47-40)27-41(39)51-43/h1-28,44H/q-1
InChIKeyBEKILJDPBFXDKT-UHFFFAOYSA-N
XLogP11.90
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.77
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
1-[2-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-naphthalen-2-yl-[1]benzofuro[2,3-b]quinoline
CID 163785273
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 163752446
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-naphthalen-2-yl-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 167604779
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502443
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)-[1]benzofuro[3,2-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]isoquinoline;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-g]quinoline
CID 167616003
12-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-15-naphthalen-2-yl-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166799978
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-2-yl)-6-phenyl-3,5-diaza-1-azanidacyclohexa-2,4-diene
CID 163727912
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
8-dibenzofuran-4-yl-6-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;8-dibenzofuran-4-yl-10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167558776

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccccc3)[N-]C(c3ccccc3-c3ccc(-c4ccc5ccccc5c4)c4oc5cc6cccnc6cc5c34)=N2)cc1.
What is the InChIKey of 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?
The InChIKey is BEKILJDPBFXDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N4O/c1-3-13-30(14-4-1)44-48-45(31-15-5-2-6-16-31)50-46(49-44)38-20-10-9-19-36(38)37-24-23-35(33-22-21-29-12-7-8-17-32(29)26-33)43-42(37)39-28-40-34(18-11-25-47-40)27-41(39)51-43/h1-28,44H/q-1.
What are the key properties of 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?
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 has a molecular weight of 653.77 g/mol, XLogP of 11.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163448310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).