2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine

C51H33N3O — CID 167008140

IUPAC2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESC1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2ccccc2)nc(-c2ccc3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)ccc3c2)n1
InChIInChI=1S/C51H33N3O/c1-3-10-32(11-4-1)38-26-27-46-45(30-38)48-43(16-9-17-47(48)55-46)39-23-21-37-29-40(25-22-36(37)28-39)50-52-49(35-13-5-2-6-14-35)53-51(54-50)41-24-20-34-19-18-33-12-7-8-15-42(33)44(34)31-41/h1-31,34,44H
InChIKeyRTLLMYMHNGZYQM-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.97
Rot. Bonds5

About 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine

2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 167008140) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID167008140
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESC1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2ccccc2)nc(-c2ccc3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)ccc3c2)n1
InChIInChI=1S/C51H33N3O/c1-3-10-32(11-4-1)38-26-27-46-45(30-38)48-43(16-9-17-47(48)55-46)39-23-21-37-29-40(25-22-36(37)28-39)50-52-49(35-13-5-2-6-14-35)53-51(54-50)41-24-20-34-19-18-33-12-7-8-15-42(33)44(34)31-41/h1-31,34,44H
InChIKeyRTLLMYMHNGZYQM-UHFFFAOYSA-N
XLogP12.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-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-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170133037
2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170423618
2-(4a,10a-dihydrophenanthren-2-yl)-4-dibenzofuran-4-yl-6-(6-dibenzofuran-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 170132345
2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 167182995
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-[7-[8-(3,5-diphenylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167181759
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081

Frequently Asked Questions

What is the IUPAC name of 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine (CID 167008140) is 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine is C1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2ccccc2)nc(-c2ccc3cc(-c4cccc5oc6ccc(-c7ccccc7)cc6c45)ccc3c2)n1.
What is the InChIKey of 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is RTLLMYMHNGZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-3-10-32(11-4-1)38-26-27-46-45(30-38)48-43(16-9-17-47(48)55-46)39-23-21-37-29-40(25-22-36(37)28-39)50-52-49(35-13-5-2-6-14-35)53-51(54-50)41-24-20-34-19-18-33-12-7-8-15-42(33)44(34)31-41/h1-31,34,44H.
What are the key properties of 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine?
2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 167008140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).