2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

C49H31N3O2 — CID 170017751

IUPAC2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3ccc4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cc4c23)CC1
InChIInChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)31-17-22-34(23-18-31)47-50-48(52-49(51-47)39-13-8-16-43-45(39)37-11-4-6-14-41(37)53-43)35-24-19-32(20-25-35)36-26-21-33-27-28-44-46(40(33)29-36)38-12-5-7-15-42(38)54-44/h1-6,8-14,16-29H,7,15H2
InChIKeyRFASPNXVLIBXPH-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.96
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170017751) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170017751
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3ccc4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cc4c23)CC1
InChIInChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)31-17-22-34(23-18-31)47-50-48(52-49(51-47)39-13-8-16-43-45(39)37-11-4-6-14-41(37)53-43)35-24-19-32(20-25-35)36-26-21-33-27-28-44-46(40(33)29-36)38-12-5-7-15-42(38)54-44/h1-6,8-14,16-29H,7,15H2
InChIKeyRFASPNXVLIBXPH-UHFFFAOYSA-N
XLogP12.96
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424026
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743573
2-[6-(6,7-dihydrodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171587095
2-phenyl-4-(7-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314692
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 170017751) is 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=Cc2c(oc3ccc4ccc(-c5ccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8oc9ccccc9c78)n6)cc5)cc4c23)CC1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RFASPNXVLIBXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-2-9-30(10-3-1)31-17-22-34(23-18-31)47-50-48(52-49(51-47)39-13-8-16-43-45(39)37-11-4-6-14-41(37)53-43)35-24-19-32(20-25-35)36-26-21-33-27-28-44-46(40(33)29-36)38-12-5-7-15-42(38)54-44/h1-6,8-14,16-29H,7,15H2.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170017751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).