9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole

C60H37N3O — CID 90348740

IUPAC9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H37N3O/c1-3-16-38(17-4-1)49-37-58-51(44-22-9-13-27-54(44)63(58)56-28-15-24-47-46-23-10-14-29-59(46)64-60(47)56)36-48(49)39-30-32-45-42-20-7-11-25-52(42)62(57(45)34-39)41-31-33-55-50(35-41)43-21-8-12-26-53(43)61(55)40-18-5-2-6-19-40/h1-37H
InChIKeyACIJCDURQFMNQL-UHFFFAOYSA-N
MW815.98 g/mol
LogP16.21
Rot. Bonds5

About 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole

9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole (PubChem CID 90348740) has the molecular formula C60H37N3O and a molecular weight of 815.98 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
PubChem CID90348740
Molecular FormulaC60H37N3O
Molecular Weight815.98 g/mol
Exact Mass815.29
IUPAC Name9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C60H37N3O/c1-3-16-38(17-4-1)49-37-58-51(44-22-9-13-27-54(44)63(58)56-28-15-24-47-46-23-10-14-29-59(46)64-60(47)56)36-48(49)39-30-32-45-42-20-7-11-25-52(42)62(57(45)34-39)41-31-33-55-50(35-41)43-21-8-12-26-53(43)61(55)40-18-5-2-6-19-40/h1-37H
InChIKeyACIJCDURQFMNQL-UHFFFAOYSA-N
XLogP16.21
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole;9-dibenzofuran-4-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzofuran-4-yl-2-phenyl-3-(9-phenylcarbazol-2-yl)carbazole;9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-2-phenylcarbazole;9-dibenzothiophen-2-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 157170070
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-dibenzothiophen-2-yl-2-phenylcarbazole
CID 90321576
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
CID 90321574
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
9-dibenzofuran-4-yl-3-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylcarbazol-9-yl)carbazole;3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole;pentakis(prop-1-ene);9-(3-triphenylen-2-ylphenyl)carbazole
CID 159796899
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 167701543
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;3-[9-(7-dibenzofuran-2-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(7-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 157245653
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole?
The IUPAC name of 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole (CID 90348740) is 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c2)c2ccccc2n3-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole?
The InChIKey is ACIJCDURQFMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O/c1-3-16-38(17-4-1)49-37-58-51(44-22-9-13-27-54(44)63(58)56-28-15-24-47-46-23-10-14-29-59(46)64-60(47)56)36-48(49)39-30-32-45-42-20-7-11-25-52(42)62(57(45)34-39)41-31-33-55-50(35-41)43-21-8-12-26-53(43)61(55)40-18-5-2-6-19-40/h1-37H.
What are the key properties of 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole?
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole has a molecular weight of 815.98 g/mol, XLogP of 16.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole is sourced from PubChem (CID 90348740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).