2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C51H31N3O2 — CID 170423618

IUPAC2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4c23)n1
InChIInChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)49-52-50(35-22-25-37-33(28-35)21-20-30-10-4-6-14-36(30)37)54-51(53-49)41-18-9-19-44-47(41)42-29-34(24-26-43(42)55-44)39-16-8-17-40-46-38-15-7-5-11-31(38)23-27-45(46)56-48(39)40/h1-29,33,37H
InChIKeyJKCCHXWYXFZIIC-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.20
Rot. Bonds4

About 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170423618) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170423618
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4c23)n1
InChIInChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)49-52-50(35-22-25-37-33(28-35)21-20-30-10-4-6-14-36(30)37)54-51(53-49)41-18-9-19-44-47(41)42-29-34(24-26-43(42)55-44)39-16-8-17-40-46-38-15-7-5-11-31(38)23-27-45(46)56-48(39)40/h1-29,33,37H
InChIKeyJKCCHXWYXFZIIC-UHFFFAOYSA-N
XLogP13.20
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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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-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 167182995
2-(4a,10a-dihydrophenanthren-3-yl)-4-phenyl-6-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 167008140
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-(4a,10a-dihydrophenanthren-3-yl)-4-(6-dibenzofuran-1-ylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170133037
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-(4b,8a-dihydrophenanthren-3-yl)-4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170127920
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170926832
2-naphthalen-2-yl-4-(8-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741491
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506

Frequently Asked Questions

What is the IUPAC name of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CC2c3ccccc3C=CC2C=C1c1nc(-c2ccccc2)nc(-c2cccc3oc4ccc(-c5cccc6c5oc5ccc7ccccc7c56)cc4c23)n1.
What is the InChIKey of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is JKCCHXWYXFZIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)49-52-50(35-22-25-37-33(28-35)21-20-30-10-4-6-14-36(30)37)54-51(53-49)41-18-9-19-44-47(41)42-29-34(24-26-43(42)55-44)39-16-8-17-40-46-38-15-7-5-11-31(38)23-27-45(46)56-48(39)40/h1-29,33,37H.
What are the key properties of 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4a,10a-dihydrophenanthren-2-yl)-4-(8-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170423618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).