2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole

C51H30N4O2 — CID 164932793

IUPAC2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c8oc9c([2H])c([2H])c([2H])c([2H])c9c8c([2H])c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-22-13-25-43-45(35)39-27-26-34(30-44(39)56-43)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-40-23-12-21-36(32-16-6-2-7-17-32)46(40)47-41(55)29-28-38-37-20-10-11-24-42(37)57-48(38)47/h1-30H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyYRJGVLFEXFQAAR-AJRGTJNOSA-N
MW750.95 g/mol
LogP13.44
Rot. Bonds5

About 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole

2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 164932793) has the molecular formula C51H30N4O2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID164932793
Molecular FormulaC51H30N4O2
Molecular Weight750.95 g/mol
Exact Mass750.36
IUPAC Name2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c8oc9c([2H])c([2H])c([2H])c([2H])c9c8c([2H])c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-22-13-25-43-45(35)39-27-26-34(30-44(39)56-43)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-40-23-12-21-36(32-16-6-2-7-17-32)46(40)47-41(55)29-28-38-37-20-10-11-24-42(37)57-48(38)47/h1-30H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyYRJGVLFEXFQAAR-AJRGTJNOSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

1,2,3,6,7,8,9,10,12-nonadeuterio-11-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyl-[1]benzofuro[3,2-b]carbazole
CID 164932883
1,2,3,4,6,8,9,10,11,12-decadeuterio-7-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164933061
1,2,3,4,7,8,9,10,12-nonadeuterio-11-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 164932709
2-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 177107261
2-[1,2,4,6,7,9-hexadeuterio-8-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 172512296
2-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177107440
2-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168748973
1,2,3,4,5,6,7,8,9,10-decadeuterio-12-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 164932732
7-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932795
2-[1,3,4,5,7,8-hexadeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-4-phenyl-6-[2,3,5,6-tetradeuterio-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 176767401
2-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-4-(1,3,4,5,7,8-hexadeuterio-6-phenylnaphthalen-2-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 176767414
7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932897

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole (CID 164932793) is 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6ccccc6)nc(-n6c7c([2H])c([2H])c([2H])c(-c8ccccc8)c7c7c8oc9c([2H])c([2H])c([2H])c([2H])c9c8c([2H])c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H].
What is the InChIKey of 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is YRJGVLFEXFQAAR-AJRGTJNOSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-22-13-25-43-45(35)39-27-26-34(30-44(39)56-43)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-40-23-12-21-36(32-16-6-2-7-17-32)46(40)47-41(55)29-28-38-37-20-10-11-24-42(37)57-48(38)47/h1-30H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D.
What are the key properties of 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole?
2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 750.95 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8,9,10,11-nonadeuterio-5-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 164932793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).