9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C66H41N3O2 — CID 88594610

IUPAC9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(Oc5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C66H41N3O2/c1-3-14-46(15-4-1)67-59-23-10-7-20-51(59)54-36-42(26-31-61(54)67)44-28-33-63-56(38-44)57-39-45(43-27-32-62-55(37-43)52-21-8-11-24-60(52)68(62)47-16-5-2-6-17-47)29-34-64(57)69(63)48-18-13-19-49(40-48)70-50-30-35-66-58(41-50)53-22-9-12-25-65(53)71-66/h1-41H
InChIKeyGRIIVMLTWUIREA-UHFFFAOYSA-N
MW908.07 g/mol
LogP18.00
Rot. Bonds7

About 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 88594610) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID88594610
Molecular FormulaC66H41N3O2
Molecular Weight908.07 g/mol
Exact Mass907.32
IUPAC Name9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(Oc5ccc6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C66H41N3O2/c1-3-14-46(15-4-1)67-59-23-10-7-20-51(59)54-36-42(26-31-61(54)67)44-28-33-63-56(38-44)57-39-45(43-27-32-62-55(37-43)52-21-8-11-24-60(52)68(62)47-16-5-2-6-17-47)29-34-64(57)69(63)48-18-13-19-49(40-48)70-50-30-35-66-58(41-50)53-22-9-12-25-65(53)71-66/h1-41H
InChIKeyGRIIVMLTWUIREA-UHFFFAOYSA-N
XLogP18.00
TPSA37.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 518.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
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-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
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
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 88594610) is 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(Oc5ccc6oc7ccccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GRIIVMLTWUIREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-3-14-46(15-4-1)67-59-23-10-7-20-51(59)54-36-42(26-31-61(54)67)44-28-33-63-56(38-44)57-39-45(43-27-32-62-55(37-43)52-21-8-11-24-60(52)68(62)47-16-5-2-6-17-47)29-34-64(57)69(63)48-18-13-19-49(40-48)70-50-30-35-66-58(41-50)53-22-9-12-25-65(53)71-66/h1-41H.
What are the key properties of 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 908.07 g/mol, XLogP of 18.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-2-yloxyphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 88594610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).