1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole

C48H32N2 — CID 169012275

IUPAC1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c(-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4ccccc4)cccc2n3-c2ccccc2)c([2H])c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1[2H]
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-44-21-11-10-19-41(44)42-31-36(25-29-45(42)49)37-26-30-46-43(32-37)48-40(35-15-6-2-7-16-35)20-12-22-47(48)50(46)38-17-8-3-9-18-38/h1-32H/i25D,26D,29D,30D,31D,32D
InChIKeyHCRHQKCXXCAQGJ-KBQOBDGHSA-N
MW642.83 g/mol
LogP12.88
Rot. Bonds5

About 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole

1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 169012275) has the molecular formula C48H32N2 and a molecular weight of 642.83 g/mol. Its IUPAC name is 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID169012275
Molecular FormulaC48H32N2
Molecular Weight642.83 g/mol
Exact Mass642.29
IUPAC Name1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c(-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4ccccc4)cccc2n3-c2ccccc2)c([2H])c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1[2H]
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-44-21-11-10-19-41(44)42-31-36(25-29-45(42)49)37-26-30-46-43(32-37)48-40(35-15-6-2-7-16-35)20-12-22-47(48)50(46)38-17-8-3-9-18-38/h1-32H/i25D,26D,29D,30D,31D,32D
InChIKeyHCRHQKCXXCAQGJ-KBQOBDGHSA-N
XLogP12.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trideuterio-5,9-bis(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012061
1,2,4-trideuterio-8,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012036
1,2,3,4,5,7,8-heptadeuterio-9-(3-phenylphenyl)-6-[5-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012272
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 169012084
1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011797
1,2,3,4,5,7,8-heptadeuterio-6-[5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 169011944
1,2,3,4,5,7,8-heptadeuterio-6-(5,9-diphenylcarbazol-3-yl)-9-[9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169012054
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
1,2,3,5,7,8-hexadeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011858
1,2,3,4,5,7,8-heptadeuterio-6-(1,2,4,5,6,7,8-heptadeuterio-9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 164788730

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 169012275) is 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole is [2H]c1c(-c2c([2H])c([2H])c3c(c2[2H])c2c(-c4ccccc4)cccc2n3-c2ccccc2)c([2H])c2c3ccccc3n(-c3ccc(-c4ccccc4)cc3)c2c1[2H].
What is the InChIKey of 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is HCRHQKCXXCAQGJ-KBQOBDGHSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-44-21-11-10-19-41(44)42-31-36(25-29-45(42)49)37-26-30-46-43(32-37)48-40(35-15-6-2-7-16-35)20-12-22-47(48)50(46)38-17-8-3-9-18-38/h1-32H/i25D,26D,29D,30D,31D,32D.
What are the key properties of 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole?
1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 642.83 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 169012275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).