9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole

C53H33N3O — CID 146805124

IUPAC9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4oc5ccccc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)42-31-36(32-43(54-42)35-19-5-2-6-20-35)51-52-41-25-11-16-30-49(41)57-50(52)33-48(55-44-26-12-7-21-37(44)38-22-8-13-27-45(38)55)53(51)56-46-28-14-9-23-39(46)40-24-10-15-29-47(40)56/h1-33H
InChIKeyRYWLNFGXTFXDHG-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

About 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole

9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole (PubChem CID 146805124) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
PubChem CID146805124
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4oc5ccccc5c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)42-31-36(32-43(54-42)35-19-5-2-6-20-35)51-52-41-25-11-16-30-49(41)57-50(52)33-48(55-44-26-12-7-21-37(44)38-22-8-13-27-45(38)55)53(51)56-46-28-14-9-23-39(46)40-24-10-15-29-47(40)56/h1-33H
InChIKeyRYWLNFGXTFXDHG-UHFFFAOYSA-N
XLogP14.18
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
CID 153300123
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
CID 153300022
4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5,6,7-tri(carbazol-9-yl)chromen-2-one
CID 153461213
9-[1-carbazol-9-yl-4-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole;9-[2-carbazol-9-yl-4-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole;9-[1-carbazol-9-yl-4-(2,6-diphenyl-4-pyridinyl)dibenzothiophen-3-yl]carbazole
CID 158321842
3-[2,6-bis(9-dibenzofuran-1-ylcarbazol-3-yl)-4-pyridinyl]-9-dibenzofuran-1-ylcarbazole
CID 90291738
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 146816621
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
2-[3-[3-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159814052
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
19-(4,6-diphenylpyrimidin-2-yl)-10,15-dioxa-19-azaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene
CID 118301346
21-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenyl-18-oxa-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118634635

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole (CID 146805124) is 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole is c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)cc4oc5ccccc5c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole?
The InChIKey is RYWLNFGXTFXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-17-34(18-4-1)42-31-36(32-43(54-42)35-19-5-2-6-20-35)51-52-41-25-11-16-30-49(41)57-50(52)33-48(55-44-26-12-7-21-37(44)38-22-8-13-27-45(38)55)53(51)56-46-28-14-9-23-39(46)40-24-10-15-29-47(40)56/h1-33H.
What are the key properties of 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole?
9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole has a molecular weight of 727.87 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 146805124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).