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

C61H44N4O2 — CID 169055124

IUPAC9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C61H44N4O2/c1-2-12-40(13-3-1)43-17-11-21-52-55(43)47-16-4-7-20-51(47)65(52)60-63-58(48-19-10-18-46-44-14-5-8-22-53(44)66-56(46)48)62-59(64-60)50-32-41(31-49-45-15-6-9-23-54(45)67-57(49)50)39-24-26-42(27-25-39)61-33-36-28-37(34-61)30-38(29-36)35-61/h1-27,31-32,36-38H,28-30,33-35H2
InChIKeyNFEQAGGDRFLWFG-UHFFFAOYSA-N
MW865.05 g/mol
LogP15.90
Rot. Bonds6

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

9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 169055124) has the molecular formula C61H44N4O2 and a molecular weight of 865.05 g/mol. Its IUPAC name is 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
PubChem CID169055124
Molecular FormulaC61H44N4O2
Molecular Weight865.05 g/mol
Exact Mass864.35
IUPAC Name9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C61H44N4O2/c1-2-12-40(13-3-1)43-17-11-21-52-55(43)47-16-4-7-20-51(47)65(52)60-63-58(48-19-10-18-46-44-14-5-8-22-53(44)66-56(46)48)62-59(64-60)50-32-41(31-49-45-15-6-9-23-54(45)67-57(49)50)39-24-26-42(27-25-39)61-33-36-28-37(34-61)30-38(29-36)35-61/h1-27,31-32,36-38H,28-30,33-35H2
InChIKeyNFEQAGGDRFLWFG-UHFFFAOYSA-N
XLogP15.90
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.05
LogP ≤ 515.90
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-pyridin-4-ylphenyl]-4-dibenzofuran-4-yl-6-(2,8-diphenyldibenzofuran-4-yl)-1,3,5-triazine
CID 169054639
2-[4-(1-adamantyl)naphthalen-1-yl]-4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 169054715
2-[3-[4-(1-adamantyl)phenyl]-5-(4-deuteriophenyl)phenyl]-4,6-di(dibenzofuran-4-yl)-1,3,5-triazine
CID 169054827
3-[4-[2-[4-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-4-yl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170218146
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
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-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
[3-[4-dibenzofuran-4-yl-6-(4-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176837812
2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054812
2-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-4-dibenzothiophen-4-yl-6-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 169054811

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The IUPAC name of 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 169055124) is 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole is c1ccc(-c2cccc3c2c2ccccc2n3-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cc(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)cc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
The InChIKey is NFEQAGGDRFLWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H44N4O2/c1-2-12-40(13-3-1)43-17-11-21-52-55(43)47-16-4-7-20-51(47)65(52)60-63-58(48-19-10-18-46-44-14-5-8-22-53(44)66-56(46)48)62-59(64-60)50-32-41(31-49-45-15-6-9-23-54(45)67-57(49)50)39-24-26-42(27-25-39)61-33-36-28-37(34-61)30-38(29-36)35-61/h1-27,31-32,36-38H,28-30,33-35H2.
What are the key properties of 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole?
9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole has a molecular weight of 865.05 g/mol, XLogP of 15.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-(1-adamantyl)phenyl]dibenzofuran-4-yl]-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 169055124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).