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

C51H30N4O2 — CID 164932883

IUPAC1,2,3,6,7,8,9,10,12-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
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([2H])c7c7c([2H])c8oc9c(-c%10ccccc%10)c([2H])c([2H])c([2H])c9c8c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-13-25-44-47(35)39-27-26-34(28-45(39)56-44)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-42-24-11-10-20-37(42)40-30-46-41(29-43(40)55)38-23-12-22-36(48(38)57-46)32-16-6-2-7-17-32/h1-30H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyXSDGVAXOCSZGSD-AJRGTJNOSA-N
MW750.95 g/mol
LogP13.44
Rot. Bonds5

About 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

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 (PubChem CID 164932883) has the molecular formula C51H30N4O2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,3,6,7,8,9,10,12-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
PubChem CID164932883
Molecular FormulaC51H30N4O2
Molecular Weight750.95 g/mol
Exact Mass750.36
IUPAC Name1,2,3,6,7,8,9,10,12-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
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([2H])c7c7c([2H])c8oc9c(-c%10ccccc%10)c([2H])c([2H])c([2H])c9c8c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-13-25-44-47(35)39-27-26-34(28-45(39)56-44)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-42-24-11-10-20-37(42)40-30-46-41(29-43(40)55)38-23-12-22-36(48(38)57-46)32-16-6-2-7-17-32/h1-30H/i1D,4D,5D,10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
InChIKeyXSDGVAXOCSZGSD-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 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 with MolForge

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Related Compounds

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
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
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
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
2-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 177107261
2-[1,2,4,6,7,8-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
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
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
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-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 164932802
2-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,3,4,5,6,7,8-heptadeuterio-9-[2,3,4,6-tetradeuterio-5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]carbazole
CID 171437854
1,2,3,4,5,6,7-heptadeuterio-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[1,2,3,6,8,9-hexadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-4-yl]carbazole
CID 177129571

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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([2H])c7c7c([2H])c8oc9c(-c%10ccccc%10)c([2H])c([2H])c([2H])c9c8c([2H])c76)n5)c([2H])c([2H])c4c23)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is XSDGVAXOCSZGSD-AJRGTJNOSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-4-14-31(15-5-1)35-21-13-25-44-47(35)39-27-26-34(28-45(39)56-44)50-52-49(33-18-8-3-9-19-33)53-51(54-50)55-42-24-11-10-20-37(42)40-30-46-41(29-43(40)55)38-23-12-22-36(48(38)57-46)32-16-6-2-7-17-32/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 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?
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 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 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 is sourced from PubChem (CID 164932883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).