9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole

C59H36N4O — CID 171578653

IUPAC9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C59H36N4O/c1-8-24-48-40(16-1)41-17-2-9-25-49(41)61(48)54-30-15-23-39(37-32-33-56-47(34-37)46-22-7-14-31-55(46)64-56)59(54)38-35-57(62-50-26-10-3-18-42(50)43-19-4-11-27-51(43)62)60-58(36-38)63-52-28-12-5-20-44(52)45-21-6-13-29-53(45)63/h1-36H
InChIKeySRPIUJXGTFZFSS-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.61
Rot. Bonds5

About 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole

9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 171578653) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
PubChem CID171578653
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C59H36N4O/c1-8-24-48-40(16-1)41-17-2-9-25-49(41)61(48)54-30-15-23-39(37-32-33-56-47(34-37)46-22-7-14-31-55(46)64-56)59(54)38-35-57(62-50-26-10-3-18-42(50)43-19-4-11-27-51(43)62)60-58(36-38)63-52-28-12-5-20-44(52)45-21-6-13-29-53(45)63/h1-36H
InChIKeySRPIUJXGTFZFSS-UHFFFAOYSA-N
XLogP15.61
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578181
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
9-[2-(2-carbazol-9-yl-6-dibenzofuran-3-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-4-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
CID 171578359
9-(10-dibenzofuran-2-yltetracen-1-yl)carbazole;ethane
CID 145009292
9-[6-[6-[6-(6-carbazol-9-yl-4-dibenzofuran-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-4-dibenzofuran-3-yl-2-pyridinyl]carbazole
CID 165167515
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
2-dibenzofuran-2-yl-6-[3-(4,6-diphenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 122576020
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-1-yl]carbazole
CID 166962496
9-[6-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010568
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole (CID 171578653) is 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole is c1cc(-c2ccc3oc4ccccc4c3c2)c(-c2cc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is SRPIUJXGTFZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-8-24-48-40(16-1)41-17-2-9-25-49(41)61(48)54-30-15-23-39(37-32-33-56-47(34-37)46-22-7-14-31-55(46)64-56)59(54)38-35-57(62-50-26-10-3-18-42(50)43-19-4-11-27-51(43)62)60-58(36-38)63-52-28-12-5-20-44(52)45-21-6-13-29-53(45)63/h1-36H.
What are the key properties of 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole?
9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 816.96 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 171578653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).