1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

C57H36N4O — CID 177130323

IUPAC1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1
InChIInChI=1S/C57H36N4O/c1-3-15-37(16-4-1)39-29-31-40(32-30-39)55-58-56(60-57(59-55)48-23-9-12-28-52(48)61-50-26-10-7-21-45(50)46-22-8-11-27-51(46)61)43-20-13-19-42(35-43)44-24-14-25-47-49-36-41(38-17-5-2-6-18-38)33-34-53(49)62-54(44)47/h1-36H/i1D,3D,4D,7D,8D,10D,15D,16D,21D,22D,26D,27D
InChIKeyBKODZQNFJDRYBH-AVNLFBHESA-N
MW805.02 g/mol
LogP14.87
Rot. Bonds7

About 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 177130323) has the molecular formula C57H36N4O and a molecular weight of 805.02 g/mol. Its IUPAC name is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID177130323
Molecular FormulaC57H36N4O
Molecular Weight805.02 g/mol
Exact Mass804.36
IUPAC Name1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1
InChIInChI=1S/C57H36N4O/c1-3-15-37(16-4-1)39-29-31-40(32-30-39)55-58-56(60-57(59-55)48-23-9-12-28-52(48)61-50-26-10-7-21-45(50)46-22-8-11-27-51(46)61)43-20-13-19-42(35-43)44-24-14-25-47-49-36-41(38-17-5-2-6-18-38)33-34-53(49)62-54(44)47/h1-36H/i1D,3D,4D,7D,8D,10D,15D,16D,21D,22D,26D,27D
InChIKeyBKODZQNFJDRYBH-AVNLFBHESA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.02
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130467
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(4-naphthalen-1-ylphenyl)-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130618
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130587
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059426
9-[2-[4-carbazol-9-yl-6-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,8-heptadeuteriocarbazole
CID 177130463
1,2,3,4,5,6,8-heptadeuterio-9-[8-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 169059490
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-(3-dibenzofuran-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130575
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[3-(8-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130706
2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 168769976
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-dibenzofuran-2-yl-6-[3-(8-dibenzofuran-4-yldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177130679
2-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770038
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 168770647

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole (CID 177130323) is 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1cc([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccccc1-c1nc(-c2ccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])cc2)nc(-c2cccc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)c2)n1.
What is the InChIKey of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is BKODZQNFJDRYBH-AVNLFBHESA-N. The full InChI is InChI=1S/C57H36N4O/c1-3-15-37(16-4-1)39-29-31-40(32-30-39)55-58-56(60-57(59-55)48-23-9-12-28-52(48)61-50-26-10-7-21-45(50)46-22-8-11-27-51(46)61)43-20-13-19-42(35-43)44-24-14-25-47-49-36-41(38-17-5-2-6-18-38)33-34-53(49)62-54(44)47/h1-36H/i1D,3D,4D,7D,8D,10D,15D,16D,21D,22D,26D,27D.
What are the key properties of 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 805.02 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8-heptadeuterio-9-[2-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-[3-(8-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 177130323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).