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

C53H33N3O — CID 153300022

IUPAC9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)36-31-43(35-19-5-2-6-20-35)54-44(32-36)51-49(55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55)33-42-41-25-11-16-30-50(41)57-53(42)52(51)56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56/h1-33H
InChIKeyXFRLWCNESNQRIW-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

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

9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole (PubChem CID 153300022) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
PubChem CID153300022
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)36-31-43(35-19-5-2-6-20-35)54-44(32-36)51-49(55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55)33-42-41-25-11-16-30-50(41)57-53(42)52(51)56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56/h1-33H
InChIKeyXFRLWCNESNQRIW-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-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
CID 146805124
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
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
9-[3-[4-(2-carbazol-9-yl-4-fluorodibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-2-yl]carbazole
CID 147932592
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
CID 153300123
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 139555564
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
2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162781026
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385469
18-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9-phenyl-21-oxa-9,18-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 118635347
9-dibenzofuran-3-yl-2-(2,6-diphenyl-4-pyridinyl)-7-phenylcarbazole
CID 163750210

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole (CID 153300022) is 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)cc4c(oc5ccccc54)c3-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole?
The InChIKey is XFRLWCNESNQRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-17-34(18-4-1)36-31-43(35-19-5-2-6-20-35)54-44(32-36)51-49(55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55)33-42-41-25-11-16-30-50(41)57-53(42)52(51)56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56/h1-33H.
What are the key properties of 9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole?
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-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-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 153300022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).