3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole

C53H33N3O — CID 71278022

IUPAC3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccccn5)c(-n5c6ccccc6c6ccccc65)cc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-14-36(15-3-1)55-47-21-8-6-18-39(47)43-30-34(25-27-50(43)55)41-32-45(46-20-12-13-29-54-46)51(56-48-22-9-4-16-37(48)38-17-5-10-23-49(38)56)33-42(41)35-26-28-53-44(31-35)40-19-7-11-24-52(40)57-53/h1-33H
InChIKeyPMUQVSLMRPPKDL-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

About 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole

3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole (PubChem CID 71278022) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
PubChem CID71278022
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccccn5)c(-n5c6ccccc6c6ccccc65)cc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-14-36(15-3-1)55-47-21-8-6-18-39(47)43-30-34(25-27-50(43)55)41-32-45(46-20-12-13-29-54-46)51(56-48-22-9-4-16-37(48)38-17-5-10-23-49(38)56)33-42(41)35-26-28-53-44(31-35)40-19-7-11-24-52(40)57-53/h1-33H
InChIKeyPMUQVSLMRPPKDL-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

3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[2-(3-phenyl-2-pyridinyl)phenyl]carbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole;9-phenyl-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 161188676
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 123136164
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118534493
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
3-[2-[(2-dibenzofuran-2-ylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 145345371
5-(4-dibenzofuran-2-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5-(4-dibenzofuran-3-ylphenyl)-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;8,14-diphenyl-5-(4-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 158711601
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole (CID 71278022) is 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccccn5)c(-n5c6ccccc6c6ccccc65)cc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole?
The InChIKey is PMUQVSLMRPPKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-14-36(15-3-1)55-47-21-8-6-18-39(47)43-30-34(25-27-50(43)55)41-32-45(46-20-12-13-29-54-46)51(56-48-22-9-4-16-37(48)38-17-5-10-23-49(38)56)33-42(41)35-26-28-53-44(31-35)40-19-7-11-24-52(40)57-53/h1-33H.
What are the key properties of 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole?
3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole 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 3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 71278022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).