2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole

C56H47N3 — CID 59501634

IUPAC2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(C(C)(C)C)cc65)c4)c3)c2c1
InChIInChI=1S/C56H47N3/c1-55(2,3)38-26-28-47-45-20-9-11-22-49(45)57(53(47)33-38)40-17-15-16-36(30-40)37-31-41(58-50-23-12-7-18-43(50)44-19-8-13-24-51(44)58)35-42(32-37)59-52-25-14-10-21-46(52)48-29-27-39(34-54(48)59)56(4,5)6/h7-35H,1-6H3
InChIKeyXXFPBGNWIDZMOJ-UHFFFAOYSA-N
MW762.01 g/mol
LogP15.24
Rot. Bonds4

About 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole

2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole (PubChem CID 59501634) has the molecular formula C56H47N3 and a molecular weight of 762.01 g/mol. Its IUPAC name is 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
PubChem CID59501634
Molecular FormulaC56H47N3
Molecular Weight762.01 g/mol
Exact Mass761.38
IUPAC Name2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(C(C)(C)C)cc65)c4)c3)c2c1
InChIInChI=1S/C56H47N3/c1-55(2,3)38-26-28-47-45-20-9-11-22-49(45)57(53(47)33-38)40-17-15-16-36(30-40)37-31-41(58-50-23-12-7-18-43(50)44-19-8-13-24-51(44)58)35-42(32-37)59-52-25-14-10-21-46(52)48-29-27-39(34-54(48)59)56(4,5)6/h7-35H,1-6H3
InChIKeyXXFPBGNWIDZMOJ-UHFFFAOYSA-N
XLogP15.24
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;3,6-ditert-butyl-9-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]-3-tritylcarbazole
CID 159638149
9-[3-(3-carbazol-9-ylphenyl)phenyl]-3-(1,1,1-trideuterio-2-methylpropan-2-yl)carbazole
CID 88594409
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-tert-butylcarbazole;9-(3-tert-butyl-5-carbazol-9-ylphenyl)carbazole;2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;9-(3-tert-butylphenyl)carbazole;3-(3-tert-butylphenyl)-9-(4-phenylphenyl)carbazole
CID 159174538
2-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-phenylcarbazole;3-tert-butyl-9-(9-phenylcarbazol-3-yl)carbazole;9-(4-tert-butylphenyl)-3-carbazol-9-ylcarbazole;3-tert-butyl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159742903
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
5,11-bis(3-phenylphenyl)indolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 160597289
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
5-[9-[3-(4-tert-butylphenyl)phenyl]carbazol-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 167260203

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole?
The IUPAC name of 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole (CID 59501634) is 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole.
What is the SMILES notation for 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole?
The canonical SMILES for 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole is CC(C)(C)c1ccc2c3ccccc3n(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccc(C(C)(C)C)cc65)c4)c3)c2c1.
What is the InChIKey of 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole?
The InChIKey is XXFPBGNWIDZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N3/c1-55(2,3)38-26-28-47-45-20-9-11-22-49(45)57(53(47)33-38)40-17-15-16-36(30-40)37-31-41(58-50-23-12-7-18-43(50)44-19-8-13-24-51(44)58)35-42(32-37)59-52-25-14-10-21-46(52)48-29-27-39(34-54(48)59)56(4,5)6/h7-35H,1-6H3.
What are the key properties of 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole?
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole has a molecular weight of 762.01 g/mol, XLogP of 15.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole is sourced from PubChem (CID 59501634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).