3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole

C49H32N2O — CID 177077405

IUPAC3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(C)cc7)ccc65)ccc4c23)c([2H])c1[2H]
InChIInChI=1S/C49H32N2O/c1-31-18-22-35(23-19-31)50-43-15-7-5-12-38(43)41-28-33(20-26-45(41)50)34-21-27-46-42(29-34)39-13-6-8-16-44(39)51(46)36-24-25-40-48(30-36)52-47-17-9-14-37(49(40)47)32-10-3-2-4-11-32/h2-30H,1H3/i2D,3D,4D,10D,11D
InChIKeyKFFIAZHUUDOKPK-GKEZVZEKSA-N
MW669.84 g/mol
LogP13.42
Rot. Bonds4

About 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole

3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole (PubChem CID 177077405) has the molecular formula C49H32N2O and a molecular weight of 669.84 g/mol. Its IUPAC name is 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
PubChem CID177077405
Molecular FormulaC49H32N2O
Molecular Weight669.84 g/mol
Exact Mass669.28
IUPAC Name3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(C)cc7)ccc65)ccc4c23)c([2H])c1[2H]
InChIInChI=1S/C49H32N2O/c1-31-18-22-35(23-19-31)50-43-15-7-5-12-38(43)41-28-33(20-26-45(41)50)34-21-27-46-42(29-34)39-13-6-8-16-44(39)51(46)36-24-25-40-48(30-36)52-47-17-9-14-37(49(40)47)32-10-3-2-4-11-32/h2-30H,1H3/i2D,3D,4D,10D,11D
InChIKeyKFFIAZHUUDOKPK-GKEZVZEKSA-N
XLogP13.42
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.84
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole
CID 177077281
3-[9-(4-dibenzofuran-1-ylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-3-yl]carbazole
CID 177077284
3-[9-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-dibenzofuran-3-ylcarbazole
CID 169060653
3-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168770380
2-fluoro-6-[7-fluoro-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 177077466
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 177077333
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168770082
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3,6-dimethylcarbazole
CID 163433244
2-[3-[3-[9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-N-phenylaniline
CID 177077305
9-[9-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-phenylcarbazole;9-[9-[4-dibenzofuran-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-3-phenylcarbazole;9-[9-[4-dibenzofuran-4-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 159038565
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole (CID 177077405) is 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3oc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(C)cc7)ccc65)ccc4c23)c([2H])c1[2H].
What is the InChIKey of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole?
The InChIKey is KFFIAZHUUDOKPK-GKEZVZEKSA-N. The full InChI is InChI=1S/C49H32N2O/c1-31-18-22-35(23-19-31)50-43-15-7-5-12-38(43)41-28-33(20-26-45(41)50)34-21-27-46-42(29-34)39-13-6-8-16-44(39)51(46)36-24-25-40-48(30-36)52-47-17-9-14-37(49(40)47)32-10-3-2-4-11-32/h2-30H,1H3/i2D,3D,4D,10D,11D.
What are the key properties of 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole?
3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole has a molecular weight of 669.84 g/mol, XLogP of 13.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-methylphenyl)carbazol-3-yl]-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 177077405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).