1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole

C54H32N2OS — CID 130265990

IUPAC1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7c6)c5c4)c32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-32H
InChIKeyDEXYWUJBBOEYKW-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole

1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 130265990) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID130265990
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7c6)c5c4)c32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-32H
InChIKeyDEXYWUJBBOEYKW-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

3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 58059046
1-[9-[4-(6,7-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 170203697
2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
2-dibenzofuran-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole;3-dibenzothiophen-4-yl-6-[3-methyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 165084340
11-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]naphtho[2,1-a]carbazole
CID 163656240
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047
3-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 170203450
9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
2-carbazol-9-yl-9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzofuran-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]carbazole;2-carbazol-9-yl-9-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 159901697
5-dibenzofuran-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;5-dibenzothiophen-4-yl-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-1-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-(9-phenylcarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene;9-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22,24-dodecaene
CID 159371655

Frequently Asked Questions

What is the IUPAC name of 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole (CID 130265990) is 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cccc(-c4ccc5c6ccccc6n(-c6cc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7c6)c5c4)c32)cc1.
What is the InChIKey of 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is DEXYWUJBBOEYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-14-34(15-3-1)56-48-25-9-5-17-38(48)42-21-12-20-36(52(42)56)33-28-29-39-37-16-4-8-24-47(37)55(49(39)30-33)35-31-45-41-19-7-11-27-51(41)58-54(45)46(32-35)44-23-13-22-43-40-18-6-10-26-50(40)57-53(43)44/h1-32H.
What are the key properties of 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole?
1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-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 1-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 130265990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).