3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole

C66H43N3O — CID 158532240

IUPAC3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C36H24N2.C30H19NO/c1-2-12-27(13-3-1)37-35-20-9-6-17-31(35)32-24-26(21-22-36(32)37)25-11-10-14-28(23-25)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38;1-4-13-27-23(10-1)24-11-2-5-14-28(24)31(27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)25-12-3-6-15-29(25)32-30/h1-24H;1-19H
InChIKeyHNMYNKINOHVMPY-UHFFFAOYSA-N
MW894.09 g/mol
LogP17.90
Rot. Bonds5

About 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole (PubChem CID 158532240) has the molecular formula C66H43N3O and a molecular weight of 894.09 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
PubChem CID158532240
Molecular FormulaC66H43N3O
Molecular Weight894.09 g/mol
Exact Mass893.34
IUPAC Name3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C36H24N2.C30H19NO/c1-2-12-27(13-3-1)37-35-20-9-6-17-31(35)32-24-26(21-22-36(32)37)25-11-10-14-28(23-25)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38;1-4-13-27-23(10-1)24-11-2-5-14-28(24)31(27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)25-12-3-6-15-29(25)32-30/h1-24H;1-19H
InChIKeyHNMYNKINOHVMPY-UHFFFAOYSA-N
XLogP17.90
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.09
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
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
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
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
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
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-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole (CID 158532240) is 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole?
The InChIKey is HNMYNKINOHVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C30H19NO/c1-2-12-27(13-3-1)37-35-20-9-6-17-31(35)32-24-26(21-22-36(32)37)25-11-10-14-28(23-25)38-33-18-7-4-15-29(33)30-16-5-8-19-34(30)38;1-4-13-27-23(10-1)24-11-2-5-14-28(24)31(27)22-9-7-8-20(18-22)21-16-17-30-26(19-21)25-12-3-6-15-29(25)32-30/h1-24H;1-19H.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole?
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole has a molecular weight of 894.09 g/mol, XLogP of 17.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole is sourced from PubChem (CID 158532240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).