2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine

C90H72N6O — CID 163803074

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2C1(C)C
InChIInChI=1S/C45H35N3O.C45H37N3/c1-44(2)37-23-20-30(28-13-7-5-8-14-28)25-35(37)36-26-31(21-24-38(36)45(44,3)4)42-46-41(29-15-9-6-10-16-29)47-43(48-42)32-19-22-34-33-17-11-12-18-39(33)49-40(34)27-32;1-44(2)39-26-24-35(31-16-10-6-11-17-31)28-37(39)38-29-36(25-27-40(38)45(44,3)4)43-47-41(33-18-12-7-13-19-33)46-42(48-43)34-22-20-32(21-23-34)30-14-8-5-9-15-30/h5-27H,1-4H3;5-29H,1-4H3
InChIKeyNGRBYPGNLPCJEP-UHFFFAOYSA-N
MW1253.61 g/mol
LogP23.12
Rot. Bonds9

About 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine (PubChem CID 163803074) has the molecular formula C90H72N6O and a molecular weight of 1253.61 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
PubChem CID163803074
Molecular FormulaC90H72N6O
Molecular Weight1253.61 g/mol
Exact Mass1252.58
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2C1(C)C
InChIInChI=1S/C45H35N3O.C45H37N3/c1-44(2)37-23-20-30(28-13-7-5-8-14-28)25-35(37)36-26-31(21-24-38(36)45(44,3)4)42-46-41(29-15-9-6-10-16-29)47-43(48-42)32-19-22-34-33-17-11-12-18-39(33)49-40(34)27-32;1-44(2)39-26-24-35(31-16-10-6-11-17-31)28-37(39)38-29-36(25-27-40(38)45(44,3)4)43-47-41(33-18-12-7-13-19-33)46-42(48-43)34-22-20-32(21-23-34)30-14-8-5-9-15-30/h5-27H,1-4H3;5-29H,1-4H3
InChIKeyNGRBYPGNLPCJEP-UHFFFAOYSA-N
XLogP23.12
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001253.61
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163459685
2-[4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602605
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-[3-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[2-(9,9,10,10-tetramethyl-7-phenylphenanthren-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 163875373
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163671940
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine (CID 163803074) is 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2C1(C)C.CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2C1(C)C.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine?
The InChIKey is NGRBYPGNLPCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3O.C45H37N3/c1-44(2)37-23-20-30(28-13-7-5-8-14-28)25-35(37)36-26-31(21-24-38(36)45(44,3)4)42-46-41(29-15-9-6-10-16-29)47-43(48-42)32-19-22-34-33-17-11-12-18-39(33)49-40(34)27-32;1-44(2)39-26-24-35(31-16-10-6-11-17-31)28-37(39)38-29-36(25-27-40(38)45(44,3)4)43-47-41(33-18-12-7-13-19-33)46-42(48-43)34-22-20-32(21-23-34)30-14-8-5-9-15-30/h5-27H,1-4H3;5-29H,1-4H3.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine has a molecular weight of 1253.61 g/mol, XLogP of 23.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 163803074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).