2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C53H44N4O — CID 155628069

IUPAC2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C53H44N4O/c1-52(2,3)36-25-27-39-40-28-26-37(53(4,5)6)32-45(40)57(44(39)31-36)43-29-24-35(38-21-15-23-47-48(38)41-20-13-14-22-46(41)58-47)30-42(43)51-55-49(33-16-9-7-10-17-33)54-50(56-51)34-18-11-8-12-19-34/h7-32H,1-6H3
InChIKeyHHPULAYWDPLILF-UHFFFAOYSA-N
MW752.96 g/mol
LogP14.13
Rot. Bonds5

About 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155628069) has the molecular formula C53H44N4O and a molecular weight of 752.96 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID155628069
Molecular FormulaC53H44N4O
Molecular Weight752.96 g/mol
Exact Mass752.35
IUPAC Name2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
InChIInChI=1S/C53H44N4O/c1-52(2,3)36-25-27-39-40-28-26-37(53(4,5)6)32-45(40)57(44(39)31-36)43-29-24-35(38-21-15-23-47-48(38)41-20-13-14-22-46(41)58-47)30-42(43)51-55-49(33-16-9-7-10-17-33)54-50(56-51)34-18-11-8-12-19-34/h7-32H,1-6H3
InChIKeyHHPULAYWDPLILF-UHFFFAOYSA-N
XLogP14.13
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-ditert-butyl-9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232686
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158555095
2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 156521712
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 155232440
3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232439
2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232743
9-[4-[4-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-(3-phenylphenyl)phenyl]carbazole
CID 139303441
2-dibenzofuran-1-yl-9-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 156521803
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280466
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155628013

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155628069) is 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is CC(C)(C)c1ccc2c3ccc(C(C)(C)C)cc3n(-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.
What is the InChIKey of 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is HHPULAYWDPLILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N4O/c1-52(2,3)36-25-27-39-40-28-26-37(53(4,5)6)32-45(40)57(44(39)31-36)43-29-24-35(38-21-15-23-47-48(38)41-20-13-14-22-46(41)58-47)30-42(43)51-55-49(33-16-9-7-10-17-33)54-50(56-51)34-18-11-8-12-19-34/h7-32H,1-6H3.
What are the key properties of 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 752.96 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155628069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).