2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole

C70H41N3O — CID 88594574

IUPAC2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C70H41N3O/c1-2-14-46(15-3-1)71-66-40-44(42-30-35-63-58(38-42)49-18-6-9-24-60(49)72(63)62-37-34-55-48-17-5-4-16-47(48)54-21-12-23-57(62)69(54)55)28-32-51(66)52-33-29-45(41-67(52)71)43-31-36-64-59(39-43)50-19-7-10-25-61(50)73(64)65-26-13-22-56-53-20-8-11-27-68(53)74-70(56)65/h1-41H
InChIKeyPOMMWGLFFSVUCX-UHFFFAOYSA-N
MW940.12 g/mol
LogP19.01
Rot. Bonds5

About 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole

2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole (PubChem CID 88594574) has the molecular formula C70H41N3O and a molecular weight of 940.12 g/mol. Its IUPAC name is 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
PubChem CID88594574
Molecular FormulaC70H41N3O
Molecular Weight940.12 g/mol
Exact Mass939.32
IUPAC Name2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C70H41N3O/c1-2-14-46(15-3-1)71-66-40-44(42-30-35-63-58(38-42)49-18-6-9-24-60(49)72(63)62-37-34-55-48-17-5-4-16-47(48)54-21-12-23-57(62)69(54)55)28-32-51(66)52-33-29-45(41-67(52)71)43-31-36-64-59(39-43)50-19-7-10-25-61(50)73(64)65-26-13-22-56-53-20-8-11-27-68(53)74-70(56)65/h1-41H
InChIKeyPOMMWGLFFSVUCX-UHFFFAOYSA-N
XLogP19.01
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.12
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70659172
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-fluoranthen-3-ylcarbazole
CID 70658954
7-fluoranthen-3-yl-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223614
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 126753261
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
3-[9-(2-naphthalen-1-yldibenzofuran-4-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200561
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole (CID 88594574) is 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole is c1ccc(-n2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole?
The InChIKey is POMMWGLFFSVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O/c1-2-14-46(15-3-1)71-66-40-44(42-30-35-63-58(38-42)49-18-6-9-24-60(49)72(63)62-37-34-55-48-17-5-4-16-47(48)54-21-12-23-57(62)69(54)55)28-32-51(66)52-33-29-45(41-67(52)71)43-31-36-64-59(39-43)50-19-7-10-25-61(50)73(64)65-26-13-22-56-53-20-8-11-27-68(53)74-70(56)65/h1-41H.
What are the key properties of 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole?
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole has a molecular weight of 940.12 g/mol, XLogP of 19.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole is sourced from PubChem (CID 88594574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).