3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole

C66H40N2O2 — CID 166037350

IUPAC3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccccc5-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cccc32)cc1
InChIInChI=1S/C66H40N2O2/c1-2-13-47(14-3-1)67-58-21-9-5-18-52(58)66-49(19-12-22-61(66)67)42-27-25-41(26-28-42)48-15-4-8-20-57(48)68-59-33-29-43(45-31-35-64-55(39-45)50-16-6-10-23-62(50)69-64)37-53(59)54-38-44(30-34-60(54)68)46-32-36-65-56(40-46)51-17-7-11-24-63(51)70-65/h1-40H
InChIKeyNXNWJBJCYWIWQL-UHFFFAOYSA-N
MW893.06 g/mol
LogP18.35
Rot. Bonds6

About 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole

3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole (PubChem CID 166037350) has the molecular formula C66H40N2O2 and a molecular weight of 893.06 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
PubChem CID166037350
Molecular FormulaC66H40N2O2
Molecular Weight893.06 g/mol
Exact Mass892.31
IUPAC Name3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccccc5-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cccc32)cc1
InChIInChI=1S/C66H40N2O2/c1-2-13-47(14-3-1)67-58-21-9-5-18-52(58)66-49(19-12-22-61(66)67)42-27-25-41(26-28-42)48-15-4-8-20-57(48)68-59-33-29-43(45-31-35-64-55(39-45)50-16-6-10-23-62(50)69-64)37-53(59)54-38-44(30-34-60(54)68)46-32-36-65-56(40-46)51-17-7-11-24-63(51)70-65/h1-40H
InChIKeyNXNWJBJCYWIWQL-UHFFFAOYSA-N
XLogP18.35
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.06
LogP ≤ 518.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9-dibenzofuran-3-ylcarbazol-3-yl)-5-phenyl-9-(2-phenylphenyl)carbazole
CID 170072822
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072865
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 167259999
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
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-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole (CID 166037350) is 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4ccc(-c5ccccc5-n5c6ccc(-c7ccc8oc9ccccc9c8c7)cc6c6cc(-c7ccc8oc9ccccc9c8c7)ccc65)cc4)cccc32)cc1.
What is the InChIKey of 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
The InChIKey is NXNWJBJCYWIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2/c1-2-13-47(14-3-1)67-58-21-9-5-18-52(58)66-49(19-12-22-61(66)67)42-27-25-41(26-28-42)48-15-4-8-20-57(48)68-59-33-29-43(45-31-35-64-55(39-45)50-16-6-10-23-62(50)69-64)37-53(59)54-38-44(30-34-60(54)68)46-32-36-65-56(40-46)51-17-7-11-24-63(51)70-65/h1-40H.
What are the key properties of 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole?
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole has a molecular weight of 893.06 g/mol, XLogP of 18.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166037350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).