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

C45H29N3O — CID 167182995

IUPAC2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)n1
InChIInChI=1S/C45H29N3O/c1-2-12-29(13-3-1)43-46-44(31-23-24-33-30(27-31)22-21-28-11-4-5-14-32(28)33)48-45(47-43)38-26-25-36(34-15-6-7-16-35(34)38)37-18-10-20-41-42(37)39-17-8-9-19-40(39)49-41/h1-27,30,33H
InChIKeyCCRZBAQQYYSWAN-UHFFFAOYSA-N
MW627.75 g/mol
LogP11.31
Rot. Bonds4

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

2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 167182995) has the molecular formula C45H29N3O and a molecular weight of 627.75 g/mol. Its IUPAC name is 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID167182995
Molecular FormulaC45H29N3O
Molecular Weight627.75 g/mol
Exact Mass627.23
IUPAC Name2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)n1
InChIInChI=1S/C45H29N3O/c1-2-12-29(13-3-1)43-46-44(31-23-24-33-30(27-31)22-21-28-11-4-5-14-32(28)33)48-45(47-43)38-26-25-36(34-15-6-7-16-35(34)38)37-18-10-20-41-42(37)39-17-8-9-19-40(39)49-41/h1-27,30,33H
InChIKeyCCRZBAQQYYSWAN-UHFFFAOYSA-N
XLogP11.31
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170423618
2-(4a,8a-dihydronaphthalen-2-yl)-4-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007484
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-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 167008140
2-(4a,10a-dihydrophenanthren-9-yl)-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009147
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170127920
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 165090138

Frequently Asked Questions

What is the IUPAC name of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine (CID 167182995) is 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is C1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2ccc(-c3cccc4oc5ccccc5c34)c3ccccc23)n1.
What is the InChIKey of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is CCRZBAQQYYSWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O/c1-2-12-29(13-3-1)43-46-44(31-23-24-33-30(27-31)22-21-28-11-4-5-14-32(28)33)48-45(47-43)38-26-25-36(34-15-6-7-16-35(34)38)37-18-10-20-41-42(37)39-17-8-9-19-40(39)49-41/h1-27,30,33H.
What are the key properties of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine?
2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 627.75 g/mol, XLogP of 11.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167182995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).