2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

C55H40N4O2 — CID 169054812

IUPAC2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILES[2H]c1ccc2oc3c(-c4nc(-c5ccc6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7n(-c7ccccc7)c6c5)nc(-c5cccc6c5oc5ccccc56)n4)cccc3c2c1
InChIInChI=1S/C55H40N4O2/c1-2-10-37(11-3-1)59-46-27-35(20-22-38(46)39-23-21-36(28-47(39)59)55-29-32-24-33(30-55)26-34(25-32)31-55)52-56-53(44-16-8-14-42-40-12-4-6-18-48(40)60-50(42)44)58-54(57-52)45-17-9-15-43-41-13-5-7-19-49(41)61-51(43)45/h1-23,27-28,32-34H,24-26,29-31H2/i4D
InChIKeyJUQQNIVQFXQXFC-QYKNYGDISA-N
MW789.96 g/mol
LogP14.24
Rot. Bonds5

About 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole

2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 169054812) has the molecular formula C55H40N4O2 and a molecular weight of 789.96 g/mol. Its IUPAC name is 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID169054812
Molecular FormulaC55H40N4O2
Molecular Weight789.96 g/mol
Exact Mass789.32
IUPAC Name2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILES[2H]c1ccc2oc3c(-c4nc(-c5ccc6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7n(-c7ccccc7)c6c5)nc(-c5cccc6c5oc5ccccc56)n4)cccc3c2c1
InChIInChI=1S/C55H40N4O2/c1-2-10-37(11-3-1)59-46-27-35(20-22-38(46)39-23-21-36(28-47(39)59)55-29-32-24-33(30-55)26-34(25-32)31-55)52-56-53(44-16-8-14-42-40-12-4-6-18-48(40)60-50(42)44)58-54(57-52)45-17-9-15-43-41-13-5-7-19-49(41)61-51(43)45/h1-23,27-28,32-34H,24-26,29-31H2/i4D
InChIKeyJUQQNIVQFXQXFC-QYKNYGDISA-N
XLogP14.24
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.96
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole
CID 169055103
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
9-[4-[4-[4-(1-adamantyl)phenyl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]phenyl]carbazole-3-carbonitrile
CID 168808359
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113463
2-[6-[6-[4-(1-adamantyl)phenyl]dibenzofuran-3-yl]dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169055032
9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 169055124
2,4-bis[4-(1-adamantyl)phenyl]-6-[7-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 169055138
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 169054812) is 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is [2H]c1ccc2oc3c(-c4nc(-c5ccc6c7ccc(C89CC%10CC(CC(C%10)C8)C9)cc7n(-c7ccccc7)c6c5)nc(-c5cccc6c5oc5ccccc56)n4)cccc3c2c1.
What is the InChIKey of 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is JUQQNIVQFXQXFC-QYKNYGDISA-N. The full InChI is InChI=1S/C55H40N4O2/c1-2-10-37(11-3-1)59-46-27-35(20-22-38(46)39-23-21-36(28-47(39)59)55-29-32-24-33(30-55)26-34(25-32)31-55)52-56-53(44-16-8-14-42-40-12-4-6-18-48(40)60-50(42)44)58-54(57-52)45-17-9-15-43-41-13-5-7-19-49(41)61-51(43)45/h1-23,27-28,32-34H,24-26,29-31H2/i4D.
What are the key properties of 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 789.96 g/mol, XLogP of 14.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 169054812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).