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

C53H33N3O — CID 153300123

IUPAC9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)43-31-36(32-44(54-43)35-19-5-2-6-20-35)42-33-50-51(41-25-11-16-30-49(41)57-50)53(56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56)52(42)55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55/h1-33H
InChIKeyXMBQCKZLDYODHB-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

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

9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole (PubChem CID 153300123) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
PubChem CID153300123
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-17-34(18-4-1)43-31-36(32-44(54-43)35-19-5-2-6-20-35)42-33-50-51(41-25-11-16-30-49(41)57-50)53(56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56)52(42)55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55/h1-33H
InChIKeyXMBQCKZLDYODHB-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-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
9-[2-carbazol-9-yl-1-(2,6-diphenyl-4-pyridinyl)dibenzofuran-3-yl]carbazole
CID 146805124
4-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5,6,7-tri(carbazol-9-yl)chromen-2-one
CID 153461213
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
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649916
1-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-3-phenyl-[1]benzofuro[3,2-c]pyridine
CID 167403722
12-[3-(2,6-diphenyl-4-pyridinyl)-5-(2-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140922288
2-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168768283
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
9-[2-carbazol-9-yl-3-(4,6-diphenyl-2-pyridinyl)dibenzofuran-4-yl]carbazole
CID 153300022
9-[18-(2,6-diphenylpyrimidin-4-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 59147373
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938682

Frequently Asked Questions

What is the IUPAC name of 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole (CID 153300123) is 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole is c1ccc(-c2cc(-c3cc4oc5ccccc5c4c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole?
The InChIKey is XMBQCKZLDYODHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-17-34(18-4-1)43-31-36(32-44(54-43)35-19-5-2-6-20-35)42-33-50-51(41-25-11-16-30-49(41)57-50)53(56-47-28-14-9-23-39(47)40-24-10-15-29-48(40)56)52(42)55-45-26-12-7-21-37(45)38-22-8-13-27-46(38)55/h1-33H.
What are the key properties of 9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole?
9-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-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-[1-carbazol-9-yl-3-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 153300123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).