2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C46H35N3O — CID 174075559

IUPAC2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESC[C@@H]1CC=CC2=C1C=CC(c1cc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4CCC=C5)n3)c3c(c1)oc1ccccc13)C2
InChIInChI=1S/C46H35N3O/c1-28-12-11-16-31-24-30(22-23-34(28)31)33-26-40(43-38-20-9-10-21-41(38)50-42(43)27-33)46-48-44(29-13-3-2-4-14-29)47-45(49-46)39-25-32-15-5-6-17-35(32)36-18-7-8-19-37(36)39/h2-7,9-11,13-18,20-23,25-28,30H,8,12,19,24H2,1H3/t28-,30?/m1/s1
InChIKeyRKXIWWGJYGCTJN-KFMIKNBQSA-N
MW645.81 g/mol
LogP11.82
Rot. Bonds4

About 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 174075559) has the molecular formula C46H35N3O and a molecular weight of 645.81 g/mol. Its IUPAC name is 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID174075559
Molecular FormulaC46H35N3O
Molecular Weight645.81 g/mol
Exact Mass645.28
IUPAC Name2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESC[C@@H]1CC=CC2=C1C=CC(c1cc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4CCC=C5)n3)c3c(c1)oc1ccccc13)C2
InChIInChI=1S/C46H35N3O/c1-28-12-11-16-31-24-30(22-23-34(28)31)33-26-40(43-38-20-9-10-21-41(38)50-42(43)27-33)46-48-44(29-13-3-2-4-14-29)47-45(49-46)39-25-32-15-5-6-17-35(32)36-18-7-8-19-37(36)39/h2-7,9-11,13-18,20-23,25-28,30H,8,12,19,24H2,1H3/t28-,30?/m1/s1
InChIKeyRKXIWWGJYGCTJN-KFMIKNBQSA-N
XLogP11.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-(3-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174316379
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-9-yl)-6-phenyl-1,3,5-triazine
CID 167007336
2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158931089
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-(7,8-dihydronaphthalen-2-yl)-4-(3-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170219053
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 174075559) is 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is C[C@@H]1CC=CC2=C1C=CC(c1cc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5c4CCC=C5)n3)c3c(c1)oc1ccccc13)C2.
What is the InChIKey of 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is RKXIWWGJYGCTJN-KFMIKNBQSA-N. The full InChI is InChI=1S/C46H35N3O/c1-28-12-11-16-31-24-30(22-23-34(28)31)33-26-40(43-38-20-9-10-21-41(38)50-42(43)27-33)46-48-44(29-13-3-2-4-14-29)47-45(49-46)39-25-32-15-5-6-17-35(32)36-18-7-8-19-37(36)39/h2-7,9-11,13-18,20-23,25-28,30H,8,12,19,24H2,1H3/t28-,30?/m1/s1.
What are the key properties of 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 645.81 g/mol, XLogP of 11.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydrophenanthren-9-yl)-4-[3-[(5R)-5-methyl-1,2,5,6-tetrahydronaphthalen-2-yl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 174075559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).