2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine

C102H62N6O2 — CID 159142918

IUPAC2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c12.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1
InChIInChI=1S/2C51H31N3O/c2*1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h2*1-31H/i28D;
InChIKeyKIHXCGASPXFVMS-LJTPQPBWSA-N
MW1404.66 g/mol
LogP27.13
Rot. Bonds10

About 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine

2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 159142918) has the molecular formula C102H62N6O2 and a molecular weight of 1404.66 g/mol. Its IUPAC name is 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID159142918
Molecular FormulaC102H62N6O2
Molecular Weight1404.66 g/mol
Exact Mass1403.50
IUPAC Name2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILES[2H]c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c12.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1
InChIInChI=1S/2C51H31N3O/c2*1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h2*1-31H/i28D;
InChIKeyKIHXCGASPXFVMS-LJTPQPBWSA-N
XLogP27.13
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001404.66
LogP ≤ 527.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-[8-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167167260
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081

Frequently Asked Questions

What is the IUPAC name of 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine (CID 159142918) is 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine is [2H]c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc2c1oc1cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c12.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is KIHXCGASPXFVMS-LJTPQPBWSA-N. The full InChI is InChI=1S/2C51H31N3O/c2*1-3-13-32(14-4-1)34-17-11-18-37(29-34)50-52-49(33-15-5-2-6-16-33)53-51(54-50)43-23-12-24-47-48(43)45-31-36(26-28-46(45)55-47)35-25-27-42-40-21-8-7-19-38(40)39-20-9-10-22-41(39)44(42)30-35/h2*1-31H/i28D;.
What are the key properties of 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 1404.66 g/mol, XLogP of 27.13, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-deuterio-8-triphenylen-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 159142918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).