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

C48H30N2O — CID 170517994

IUPAC1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c3ccccc3n(-c3cccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c34)c2c1
InChIInChI=1S/C48H30N2O/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-44(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-26-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i4D,7D,16D,19D
InChIKeyWSHIGQWOKCKVMM-RTRBKIPCSA-N
MW654.81 g/mol
LogP13.11
Rot. Bonds4

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

1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole (PubChem CID 170517994) has the molecular formula C48H30N2O and a molecular weight of 654.81 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
PubChem CID170517994
Molecular FormulaC48H30N2O
Molecular Weight654.81 g/mol
Exact Mass654.26
IUPAC Name1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c3ccccc3n(-c3cccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c34)c2c1
InChIInChI=1S/C48H30N2O/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-44(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-26-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i4D,7D,16D,19D
InChIKeyWSHIGQWOKCKVMM-RTRBKIPCSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
CID 166046910
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
1,2,3,4,5,6,7,8-octadeuterio-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 166046955
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
1,2,3,4,5,7,8-heptadeuterio-9-dibenzofuran-4-yl-6-[7-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 169011812
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
1,2,3,4,5,6,7,8-octadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 169059487
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole (CID 170517994) is 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c3ccccc3n(-c3cccc4oc5ccc(-c6cccc(-c7ccccc7)c6)cc5c34)c2c1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole?
The InChIKey is WSHIGQWOKCKVMM-RTRBKIPCSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-12-31(13-3-1)32-14-10-15-33(28-32)34-24-27-46-40(29-34)48-44(22-11-23-47(48)51-46)50-43-21-9-6-18-38(43)39-26-25-35(30-45(39)50)49-41-19-7-4-16-36(41)37-17-5-8-20-42(37)49/h1-30H/i4D,7D,16D,19D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole?
1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole has a molecular weight of 654.81 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170517994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).