2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine

C51H49N3O — CID 177242681

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(C(C)(C)C)cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3c2c1
InChIInChI=1S/C51H49N3O/c1-49(2,3)39-30-41-40-28-38(29-42(50(4,5)6)44(40)55-45(41)43(31-39)51(7,8)9)33-23-25-35(26-24-33)47-52-46(34-19-14-11-15-20-34)53-48(54-47)37-22-16-21-36(27-37)32-17-12-10-13-18-32/h10-31H,1-9H3
InChIKeyXXVJMENQPYITTQ-UHFFFAOYSA-N
MW719.97 g/mol
LogP14.00
Rot. Bonds5

About 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine

2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine (PubChem CID 177242681) has the molecular formula C51H49N3O and a molecular weight of 719.97 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
PubChem CID177242681
Molecular FormulaC51H49N3O
Molecular Weight719.97 g/mol
Exact Mass719.39
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3c(C(C)(C)C)cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3c2c1
InChIInChI=1S/C51H49N3O/c1-49(2,3)39-30-41-40-28-38(29-42(50(4,5)6)44(40)55-45(41)43(31-39)51(7,8)9)33-23-25-35(26-24-33)47-52-46(34-19-14-11-15-20-34)53-48(54-47)37-22-16-21-36(27-37)32-17-12-10-13-18-32/h10-31H,1-9H3
InChIKeyXXVJMENQPYITTQ-UHFFFAOYSA-N
XLogP14.00
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[3-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]quinazoline
CID 177242586
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641
4-(4-tert-butylphenyl)-14-phenyl-3,5,13,15,28,30-hexazahexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(25),2(30),3,5,7,9,11(29),12,14,16(28),17,19,21(27),22(26),23-pentadecaene
CID 134507698
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine (CID 177242681) is 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine is CC(C)(C)c1cc(C(C)(C)C)c2oc3c(C(C)(C)C)cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)cc3c2c1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is XXVJMENQPYITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49N3O/c1-49(2,3)39-30-41-40-28-38(29-42(50(4,5)6)44(40)55-45(41)43(31-39)51(7,8)9)33-23-25-35(26-24-33)47-52-46(34-19-14-11-15-20-34)53-48(54-47)37-22-16-21-36(27-37)32-17-12-10-13-18-32/h10-31H,1-9H3.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 719.97 g/mol, XLogP of 14.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-[4-(4,6,8-tritert-butyldibenzofuran-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177242681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).