9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole

C48H29NOS — CID 121449385

IUPAC9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc12
InChIInChI=1S/C48H29NOS/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)36-26-34(25-35(27-36)32-22-24-46-42(28-32)39-11-3-7-15-45(39)50-46)31-19-17-30(18-20-31)33-21-23-41-40-12-4-8-16-47(40)51-48(41)29-33/h1-29H
InChIKeyNXHNSIAZAGDUSC-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.05
Rot. Bonds4

About 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole

9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole (PubChem CID 121449385) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
PubChem CID121449385
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC Name9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc12
InChIInChI=1S/C48H29NOS/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)36-26-34(25-35(27-36)32-22-24-46-42(28-32)39-11-3-7-15-45(39)50-46)31-19-17-30(18-20-31)33-21-23-41-40-12-4-8-16-47(40)51-48(41)29-33/h1-29H
InChIKeyNXHNSIAZAGDUSC-UHFFFAOYSA-N
XLogP14.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzofuran;9-[3,5-di(dibenzofuran-2-yl)phenyl]carbazole;2-[3,5-di(dibenzothiophen-2-yl)phenyl]dibenzofuran
CID 162164697
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160571144
9-[3-dibenzofuran-2-yl-5-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]carbazole
CID 162190539
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159055285
9-[3-[10-(7-dibenzofuran-2-yltriphenylen-2-yl)triphenylen-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 155257341
3-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 158340680
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole;3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-2-yl)carbazole;9-(8-phenyldibenzothiophen-2-yl)-3-[9-(8-phenyldibenzothiophen-2-yl)carbazol-3-yl]carbazole
CID 161271655
9-[3-dibenzofuran-2-yl-5-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazole
CID 147547401

Frequently Asked Questions

What is the IUPAC name of 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole (CID 121449385) is 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole is c1ccc2c(c1)oc1ccc(-c3cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc(-n4c5ccccc5c5ccccc54)c3)cc12.
What is the InChIKey of 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole?
The InChIKey is NXHNSIAZAGDUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)36-26-34(25-35(27-36)32-22-24-46-42(28-32)39-11-3-7-15-45(39)50-46)31-19-17-30(18-20-31)33-21-23-41-40-12-4-8-16-47(40)51-48(41)29-33/h1-29H.
What are the key properties of 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole?
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole has a molecular weight of 667.83 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 121449385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).