2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole

C66H39N3O2 — CID 88594589

IUPAC2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-59-29-23-41(40-24-30-60-52(34-40)47-14-4-8-18-57(47)68(60)45-26-32-65-55(38-45)50-16-6-10-20-63(50)70-65)35-54(59)49-28-22-43(37-62(49)67)42-25-31-61-53(36-42)48-15-5-9-19-58(48)69(61)46-27-33-66-56(39-46)51-17-7-11-21-64(51)71-66/h1-39H
InChIKeyVVAGOPOVEWTZDB-UHFFFAOYSA-N
MW906.06 g/mol
LogP18.11
Rot. Bonds5

About 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole

2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 88594589) has the molecular formula C66H39N3O2 and a molecular weight of 906.06 g/mol. Its IUPAC name is 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID88594589
Molecular FormulaC66H39N3O2
Molecular Weight906.06 g/mol
Exact Mass905.30
IUPAC Name2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-59-29-23-41(40-24-30-60-52(34-40)47-14-4-8-18-57(47)68(60)45-26-32-65-55(38-45)50-16-6-10-20-63(50)70-65)35-54(59)49-28-22-43(37-62(49)67)42-25-31-61-53(36-42)48-15-5-9-19-58(48)69(61)46-27-33-66-56(39-46)51-17-7-11-21-64(51)71-66/h1-39H
InChIKeyVVAGOPOVEWTZDB-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-(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
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
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
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
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
ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 144724361

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole (CID 88594589) is 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is VVAGOPOVEWTZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N3O2/c1-2-12-44(13-3-1)67-59-29-23-41(40-24-30-60-52(34-40)47-14-4-8-18-57(47)68(60)45-26-32-65-55(38-45)50-16-6-10-20-63(50)70-65)35-54(59)49-28-22-43(37-62(49)67)42-25-31-61-53(36-42)48-15-5-9-19-58(48)69(61)46-27-33-66-56(39-46)51-17-7-11-21-64(51)71-66/h1-39H.
What are the key properties of 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole?
2,6-bis(9-dibenzofuran-2-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 2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 88594589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).