3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole

C53H34N2O — CID 118149555

IUPAC3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole
SMILES[2H]c1c([2H])c(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc32)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C53H34N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)40-18-11-17-38(31-40)39-27-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-28-25-36(26-29-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-34H/i25D,26D,28D,29D
InChIKeyGESCIWYAZCOQCC-KJVZXISESA-N
MW718.89 g/mol
LogP14.41
Rot. Bonds6

About 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole

3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 118149555) has the molecular formula C53H34N2O and a molecular weight of 718.89 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID118149555
Molecular FormulaC53H34N2O
Molecular Weight718.89 g/mol
Exact Mass718.29
IUPAC Name3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole
SMILES[2H]c1c([2H])c(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc32)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C53H34N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)40-18-11-17-38(31-40)39-27-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-28-25-36(26-29-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-34H/i25D,26D,28D,29D
InChIKeyGESCIWYAZCOQCC-KJVZXISESA-N
XLogP14.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.89
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
2-dibenzofuran-4-yl-9-(4,6-diphenyl-2-pyridinyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118508812
9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 168768588
3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole (CID 118149555) is 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole is [2H]c1c([2H])c(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)c4)ccc32)c([2H])c([2H])c1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is GESCIWYAZCOQCC-KJVZXISESA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-13-35(14-4-1)41-33-48(37-15-5-2-6-16-37)54-49(34-41)40-18-11-17-38(31-40)39-27-30-51-47(32-39)44-19-7-9-23-50(44)55(51)42-28-25-36(26-29-42)43-21-12-22-46-45-20-8-10-24-52(45)56-53(43)46/h1-34H/i25D,26D,28D,29D.
What are the key properties of 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole?
3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 718.89 g/mol, XLogP of 14.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-(2,3,5,6-tetradeuterio-4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 118149555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).