2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C47H29N3O2 — CID 170127920

IUPAC2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2C=Cc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c56)n4)cc3C2C=C1
InChIInChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(32-23-22-29-21-20-28-10-4-5-13-33(28)39(29)26-32)50-47(49-45)38-17-9-19-41-43(38)37-25-24-31(27-42(37)51-41)34-15-8-16-36-35-14-6-7-18-40(35)52-44(34)36/h1-28,33H
InChIKeySFPPSJANKCTCKJ-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.19
Rot. Bonds4

About 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170127920) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170127920
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2C=Cc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c56)n4)cc3C2C=C1
InChIInChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(32-23-22-29-21-20-28-10-4-5-13-33(28)39(29)26-32)50-47(49-45)38-17-9-19-41-43(38)37-25-24-31(27-42(37)51-41)34-15-8-16-36-35-14-6-7-18-40(35)52-44(34)36/h1-28,33H
InChIKeySFPPSJANKCTCKJ-UHFFFAOYSA-N
XLogP12.19
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-(4b,8a-dihydrophenanthren-2-yl)-4-dibenzofuran-2-yl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170011069
2-dibenzofuran-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166952539
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622

Frequently Asked Questions

What is the IUPAC name of 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170127920) is 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CC2C=Cc3ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7cc(-c8cccc9c8oc8ccccc89)ccc7c56)n4)cc3C2C=C1.
What is the InChIKey of 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is SFPPSJANKCTCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(32-23-22-29-21-20-28-10-4-5-13-33(28)39(29)26-32)50-47(49-45)38-17-9-19-41-43(38)37-25-24-31(27-42(37)51-41)34-15-8-16-36-35-14-6-7-18-40(35)52-44(34)36/h1-28,33H.
What are the key properties of 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170127920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).