1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

C51H31N5S — CID 177267865

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C51H31N5S/c1-6-16-43-37(11-1)38-12-2-7-17-44(38)55(43)50-52-49(53-51(54-50)56-45-18-8-3-13-39(45)40-14-4-9-19-46(40)56)35-27-25-33(26-28-35)32-21-23-34(24-22-32)36-29-30-48-42(31-36)41-15-5-10-20-47(41)57-48/h1-31H/i1D,2D,3D,4D,6D,7D,8D,9D,11D,12D,13D,14D,16D,17D,18D,19D
InChIKeyBALHFIOXOYITNK-MIUNDJOMSA-N
MW762.01 g/mol
LogP13.43
Rot. Bonds5

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 177267865) has the molecular formula C51H31N5S and a molecular weight of 762.01 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID177267865
Molecular FormulaC51H31N5S
Molecular Weight762.01 g/mol
Exact Mass761.33
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C51H31N5S/c1-6-16-43-37(11-1)38-12-2-7-17-44(38)55(43)50-52-49(53-51(54-50)56-45-18-8-3-13-39(45)40-14-4-9-19-46(40)56)35-27-25-33(26-28-35)32-21-23-34(24-22-32)36-29-30-48-42(31-36)41-15-5-10-20-47(41)57-48/h1-31H/i1D,2D,3D,4D,6D,7D,8D,9D,11D,12D,13D,14D,16D,17D,18D,19D
InChIKeyBALHFIOXOYITNK-MIUNDJOMSA-N
XLogP13.43
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-3-yl-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267775
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-2-ylphenyl)-6-[1,3,4,5,6,8-hexadeuterio-2,7-bis(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 177267751
1,2,3,4-tetradeuterio-9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(3-phenylphenyl)carbazole
CID 177275231
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzothiophen-2-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292362
9-[4-carbazol-9-yl-6-[3-(4-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166825982
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268201
9-[4-carbazol-9-yl-6-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742568
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849733
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzothiophen-1-ylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267764
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-phenyl-5-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267955
2-dibenzothiophen-2-yl-9-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)-6-[4-[4-(2-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632181

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole (CID 177267865) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc2)nc(-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)n1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is BALHFIOXOYITNK-MIUNDJOMSA-N. The full InChI is InChI=1S/C51H31N5S/c1-6-16-43-37(11-1)38-12-2-7-17-44(38)55(43)50-52-49(53-51(54-50)56-45-18-8-3-13-39(45)40-14-4-9-19-46(40)56)35-27-25-33(26-28-35)32-21-23-34(24-22-32)36-29-30-48-42(31-36)41-15-5-10-20-47(41)57-48/h1-31H/i1D,2D,3D,4D,6D,7D,8D,9D,11D,12D,13D,14D,16D,17D,18D,19D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 762.01 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 177267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).