2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C51H33N3O — CID 170133037

IUPAC2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3cc(-c4cccc5oc6ccccc6c45)ccc3c2)n1
InChIInChI=1S/C51H33N3O/c1-2-10-32(11-3-1)35-13-8-14-39(29-35)49-52-50(54-51(53-49)41-26-22-34-21-20-33-12-4-5-15-42(33)45(34)31-41)40-27-24-36-28-38(25-23-37(36)30-40)43-17-9-19-47-48(43)44-16-6-7-18-46(44)55-47/h1-31,34,45H
InChIKeyIWNYANAQDRSTRU-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.97
Rot. Bonds5

About 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170133037) 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-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170133037
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3cc(-c4cccc5oc6ccccc6c45)ccc3c2)n1
InChIInChI=1S/C51H33N3O/c1-2-10-32(11-3-1)35-13-8-14-39(29-35)49-52-50(54-51(53-49)41-26-22-34-21-20-33-12-4-5-15-42(33)45(34)31-41)40-27-24-36-28-38(25-23-37(36)30-40)43-17-9-19-47-48(43)44-16-6-7-18-46(44)55-47/h1-31,34,45H
InChIKeyIWNYANAQDRSTRU-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-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-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-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 167008140
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-(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-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-(3-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 171731278
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[3-(6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 171731191
2-(6-phenylnaphthalen-2-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797808
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804

Frequently Asked Questions

What is the IUPAC name of 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 170133037) is 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is C1=CC2C=Cc3ccccc3C2C=C1c1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3cc(-c4cccc5oc6ccccc6c45)ccc3c2)n1.
What is the InChIKey of 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is IWNYANAQDRSTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-2-10-32(11-3-1)35-13-8-14-39(29-35)49-52-50(54-51(53-49)41-26-22-34-21-20-33-12-4-5-15-42(33)45(34)31-41)40-27-24-36-28-38(25-23-37(36)30-40)43-17-9-19-47-48(43)44-16-6-7-18-46(44)55-47/h1-31,34,45H.
What are the key properties of 2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-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-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170133037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).