9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole

C58H41N3O — CID 176874279

IUPAC9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4oc5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc5c34)c21
InChIInChI=1S/C58H41N3O/c1-58(2,3)46-25-8-13-30-52(46)61-50-29-12-6-19-39(50)42-22-14-23-43(56(42)61)41-21-16-32-54-55(41)44-24-15-31-53(57(44)62-54)60-49-28-11-7-20-40(49)45-35-36(33-34-51(45)60)59-47-26-9-4-17-37(47)38-18-5-10-27-48(38)59/h4-35H,1-3H3
InChIKeyCVHVQFPZUWCKBR-UHFFFAOYSA-N
MW795.99 g/mol
LogP15.84
Rot. Bonds4

About 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole

9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole (PubChem CID 176874279) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole
PubChem CID176874279
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole
SMILESCC(C)(C)c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4oc5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc5c34)c21
InChIInChI=1S/C58H41N3O/c1-58(2,3)46-25-8-13-30-52(46)61-50-29-12-6-19-39(50)42-22-14-23-43(56(42)61)41-21-16-32-54-55(41)44-24-15-31-53(57(44)62-54)60-49-28-11-7-20-40(49)45-35-36(33-34-51(45)60)59-47-26-9-4-17-37(47)38-18-5-10-27-48(38)59/h4-35H,1-3H3
InChIKeyCVHVQFPZUWCKBR-UHFFFAOYSA-N
XLogP15.84
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
12-dibenzofuran-2-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744285
3-carbazol-9-yl-9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole
CID 176831663
28-carbazol-9-yl-14-oxa-1-azaheptacyclo[19.10.1.02,7.08,13.015,20.025,32.026,31]dotriaconta-2,4,6,8,10,12,15,17,19,21,23,25(32),26(31),27,29-pentadecaene
CID 177285260
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
5-phenyl-12-[8-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)carbazol-9-yl]dibenzofuran-4-yl]indolo[3,2-c]carbazole
CID 123179485
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]carbazole
CID 177077333
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzofuran-3-yl)carbazol-3-yl]carbazole
CID 176831734
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
9-(4,9-ditert-butyldibenzofuran-3-yl)carbazole
CID 177242457
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole;9-(7-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole;9-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole
CID 159764612
9-[4-(4-tert-butylphenyl)phenyl]-3-[3-[9-[4-(4-tert-butylphenyl)phenyl]-8-carbazol-9-ylcarbazol-3-yl]carbazol-9-yl]-6-[6-[9-[4-(2-tert-butylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazol-3-yl]carbazole
CID 167259143

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole (CID 176874279) is 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole is CC(C)(C)c1ccccc1-n1c2ccccc2c2cccc(-c3cccc4oc5c(-n6c7ccccc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cccc5c34)c21.
What is the InChIKey of 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole?
The InChIKey is CVHVQFPZUWCKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-58(2,3)46-25-8-13-30-52(46)61-50-29-12-6-19-39(50)42-22-14-23-43(56(42)61)41-21-16-32-54-55(41)44-24-15-31-53(57(44)62-54)60-49-28-11-7-20-40(49)45-35-36(33-34-51(45)60)59-47-26-9-4-17-37(47)38-18-5-10-27-48(38)59/h4-35H,1-3H3.
What are the key properties of 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole?
9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole has a molecular weight of 795.99 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylphenyl)-1-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 176874279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).