3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole

C54H32N2OS — CID 58059046

IUPAC3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56/h1-32H
InChIKeyMJXBGKSPWOANHA-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole

3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole (PubChem CID 58059046) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
PubChem CID58059046
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56/h1-32H
InChIKeyMJXBGKSPWOANHA-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
CID 164838462
1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 130265990
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 159419548
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzothiophene;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzothiophene;9-phenyl-3-(6-tetraphenylen-2-yldibenzothiophen-2-yl)carbazole;2-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran;4-(6-tetraphenylen-2-yldibenzothiophen-2-yl)dibenzofuran
CID 158156086
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(4-phenyldibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163611477
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;9-phenyl-3-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-phenyl-3-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[4-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 161276465
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole (CID 58059046) is 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cc(-n6c7ccccc7c7ccccc76)cc6c5sc5ccccc56)cc5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
The InChIKey is MJXBGKSPWOANHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-14-35(15-3-1)55-49-23-11-6-18-39(49)44-28-33(26-27-50(44)55)42-29-34(30-45-40-19-7-12-24-51(40)57-53(42)45)43-31-36(32-46-41-20-8-13-25-52(41)58-54(43)46)56-47-21-9-4-16-37(47)38-17-5-10-22-48(38)56/h1-32H.
What are the key properties of 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole?
3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 58059046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).