3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole

C66H39N3O2 — CID 88594553

IUPAC3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-61-32-24-42(40-22-30-59-53(34-40)47-14-4-8-18-57(47)68(59)45-26-28-51-49-16-6-10-20-63(49)70-65(51)38-45)36-55(61)56-37-43(25-33-62(56)67)41-23-31-60-54(35-41)48-15-5-9-19-58(48)69(60)46-27-29-52-50-17-7-11-21-64(50)71-66(52)39-46/h1-39H
InChIKeyZPMJTUQFSFUXQV-UHFFFAOYSA-N
MW906.06 g/mol
LogP18.11
Rot. Bonds5

About 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole

3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 88594553) has the molecular formula C66H39N3O2 and a molecular weight of 906.06 g/mol. Its IUPAC name is 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID88594553
Molecular FormulaC66H39N3O2
Molecular Weight906.06 g/mol
Exact Mass905.30
IUPAC Name3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-61-32-24-42(40-22-30-59-53(34-40)47-14-4-8-18-57(47)68(59)45-26-28-51-49-16-6-10-20-63(49)70-65(51)38-45)36-55(61)56-37-43(25-33-62(56)67)41-23-31-60-54(35-41)48-15-5-9-19-58(48)69(60)46-27-29-52-50-17-7-11-21-64(50)71-66(52)39-46/h1-39H
InChIKeyZPMJTUQFSFUXQV-UHFFFAOYSA-N
XLogP18.11
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.06
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
9-(7-dibenzofuran-3-yldibenzofuran-3-yl)-14-phenyl-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 170285118
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole (CID 88594553) is 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)oc4ccccc45)ccc32)cc1.
What is the InChIKey of 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is ZPMJTUQFSFUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-61-32-24-42(40-22-30-59-53(34-40)47-14-4-8-18-57(47)68(59)45-26-28-51-49-16-6-10-20-63(49)70-65(51)38-45)36-55(61)56-37-43(25-33-62(56)67)41-23-31-60-54(35-41)48-15-5-9-19-58(48)69(60)46-27-29-52-50-17-7-11-21-64(50)71-66(52)39-46/h1-39H.
What are the key properties of 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole?
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 906.06 g/mol, XLogP of 18.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 88594553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).