9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C45H28N4O — CID 165165809

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D
InChIKeyUSFUWLLZZKVKDB-IKCIEKSKSA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 165165809) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID165165809
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D
InChIKeyUSFUWLLZZKVKDB-IKCIEKSKSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165166056
9-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165165879
5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 165165860
1,2,3,4-tetradeuterio-9-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113440
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenylcarbazole
CID 169059387
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
9-[7-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 168770415
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
19-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917131
11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 165165919
1,2,3,4-tetradeuterio-9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(2-phenylphenyl)carbazole
CID 177275454

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 165165809) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2ccc3oc4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4c3c2)c([2H])c1[2H].
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is USFUWLLZZKVKDB-IKCIEKSKSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-24-26-40-37(28-33)35-25-23-32(27-41(35)50-40)45-47-43(30-15-6-2-7-16-30)46-44(48-45)31-17-8-3-9-18-31/h1-28H/i1D,4D,5D,13D,14D.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 645.78 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 165165809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).