1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C48H32N2 — CID 169011797

IUPAC1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c([2H])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-32H/i26D,30D,32D
InChIKeyJUOCCEFHFRMVHP-BQBPYTBYSA-N
MW639.82 g/mol
LogP12.88
Rot. Bonds5

About 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 169011797) has the molecular formula C48H32N2 and a molecular weight of 639.82 g/mol. Its IUPAC name is 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID169011797
Molecular FormulaC48H32N2
Molecular Weight639.82 g/mol
Exact Mass639.28
IUPAC Name1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILES[2H]c1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c([2H])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[2H]
InChIInChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-32H/i26D,30D,32D
InChIKeyJUOCCEFHFRMVHP-BQBPYTBYSA-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 ≤ 500639.82
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trideuterio-8,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012036
1,2,4-trideuterio-5,9-bis(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012061
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
1,2,4-trideuterio-5,9-diphenyl-3-[1,2,4-trideuterio-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169012275
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
1,2,3,4,5,7,8-heptadeuterio-6-(7,9-diphenylcarbazol-3-yl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 169012283
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
1,2,3,4,5,7,8-heptadeuterio-9-(4-deuteriophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 172512017
1,2,3,4,5,7,8-heptadeuterio-9-[4-(4-phenylphenyl)phenyl]-6-[6-phenyl-9-(2-phenylphenyl)carbazol-3-yl]carbazole
CID 169011906
1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 169011797) is 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is [2H]c1c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)cc2)c([2H])c2c3cccc(-c4ccccc4)c3n(-c3ccccc3)c2c1[2H].
What is the InChIKey of 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is JUOCCEFHFRMVHP-BQBPYTBYSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-13-33(14-5-1)34-23-27-39(28-24-34)49-45-22-11-10-19-41(45)43-31-36(25-29-46(43)49)37-26-30-47-44(32-37)42-21-12-20-40(35-15-6-2-7-16-35)48(42)50(47)38-17-8-3-9-18-38/h1-32H/i26D,30D,32D.
What are the key properties of 1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
1,2,4-trideuterio-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 639.82 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-8,9-diphenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 169011797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).