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

C48H34N4 — CID 171724617

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)ccc1-c1ccccc1
InChIInChI=1S/C48H34N4/c1-48(2)40-22-12-9-19-36(40)39-29-33(26-28-41(39)48)46-49-45(32-17-7-4-8-18-32)50-47(51-46)34-25-27-35(31-15-5-3-6-16-31)44(30-34)52-42-23-13-10-20-37(42)38-21-11-14-24-43(38)52/h3-30H,1-2H3/i10D,11D,13D,14D,20D,21D,23D,24D
InChIKeyTWCRWWVXEAXAPH-VNCFNXEZSA-N
MW674.88 g/mol
LogP11.94
Rot. Bonds5

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

1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (PubChem CID 171724617) has the molecular formula C48H34N4 and a molecular weight of 674.88 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
PubChem CID171724617
Molecular FormulaC48H34N4
Molecular Weight674.88 g/mol
Exact Mass674.33
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)ccc1-c1ccccc1
InChIInChI=1S/C48H34N4/c1-48(2)40-22-12-9-19-36(40)39-29-33(26-28-41(39)48)46-49-45(32-17-7-4-8-18-32)50-47(51-46)34-25-27-35(31-15-5-3-6-16-31)44(30-34)52-42-23-13-10-20-37(42)38-21-11-14-24-43(38)52/h3-30H,1-2H3/i10D,11D,13D,14D,20D,21D,23D,24D
InChIKeyTWCRWWVXEAXAPH-VNCFNXEZSA-N
XLogP11.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.88
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
1,2,3,4,5,6,7,8-octadeuterio-9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659024
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]carbazole
CID 170658880
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-naphthalen-1-ylphenyl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592268
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170658973
2-(9,9-dimethylfluoren-2-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169060113
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]carbazole
CID 176849721
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500053
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126592339
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158233216

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole (CID 171724617) is 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)ccc1-c1ccccc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
The InChIKey is TWCRWWVXEAXAPH-VNCFNXEZSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)40-22-12-9-19-36(40)39-29-33(26-28-41(39)48)46-49-45(32-17-7-4-8-18-32)50-47(51-46)34-25-27-35(31-15-5-3-6-16-31)44(30-34)52-42-23-13-10-20-37(42)38-21-11-14-24-43(38)52/h3-30H,1-2H3/i10D,11D,13D,14D,20D,21D,23D,24D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole has a molecular weight of 674.88 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[5-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole is sourced from PubChem (CID 171724617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).