9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole

C48H44N4 — CID 140715844

IUPAC9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
SMILESCn1ccnc1-c1ccc2c3ccccc3n(-c3cccc(C4(c5ccccn5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c2c1
InChIInChI=1S/C48H44N4/c1-46(2,3)32-19-22-40-38(29-32)39-30-33(47(4,5)6)20-23-41(39)48(40,44-17-10-11-24-49-44)34-13-12-14-35(28-34)52-42-16-9-8-15-36(42)37-21-18-31(27-43(37)52)45-50-25-26-51(45)7/h8-30H,1-7H3
InChIKeyOHMHEJBUDOZTGT-UHFFFAOYSA-N
MW676.91 g/mol
LogP11.54
Rot. Bonds4

About 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole

9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole (PubChem CID 140715844) has the molecular formula C48H44N4 and a molecular weight of 676.91 g/mol. Its IUPAC name is 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole.

Molecular Properties

Compound Name9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
PubChem CID140715844
Molecular FormulaC48H44N4
Molecular Weight676.91 g/mol
Exact Mass676.36
IUPAC Name9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
SMILESCn1ccnc1-c1ccc2c3ccccc3n(-c3cccc(C4(c5ccccn5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c2c1
InChIInChI=1S/C48H44N4/c1-46(2,3)32-19-22-40-38(29-32)39-30-33(47(4,5)6)20-23-41(39)48(40,44-17-10-11-24-49-44)34-13-12-14-35(28-34)52-42-16-9-8-15-36(42)37-21-18-31(27-43(37)52)45-50-25-26-51(45)7/h8-30H,1-7H3
InChIKeyOHMHEJBUDOZTGT-UHFFFAOYSA-N
XLogP11.54
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.91
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
CID 140716409
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
9-[3-[(9R)-3,6-ditert-butyl-9-pyridin-2-yl-2,3-dihydrofluoren-9-yl]phenyl]-2-(1H-imidazol-2-yl)carbazole
CID 161224625
9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
CID 140715673
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
1-[2-[2-(1-methylimidazol-2-yl)carbazol-9-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
CID 71478917
3,6-ditert-butyl-2'-(2-pyridin-2-ylcarbazol-9-yl)spiro[fluorene-9,5'-indeno[1,2-b]pyridine]
CID 168820062
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole?
The IUPAC name of 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole (CID 140715844) is 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole.
What is the SMILES notation for 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole?
The canonical SMILES for 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole is Cn1ccnc1-c1ccc2c3ccccc3n(-c3cccc(C4(c5ccccn5)c5ccc(C(C)(C)C)cc5-c5cc(C(C)(C)C)ccc54)c3)c2c1.
What is the InChIKey of 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole?
The InChIKey is OHMHEJBUDOZTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N4/c1-46(2,3)32-19-22-40-38(29-32)39-30-33(47(4,5)6)20-23-41(39)48(40,44-17-10-11-24-49-44)34-13-12-14-35(28-34)52-42-16-9-8-15-36(42)37-21-18-31(27-43(37)52)45-50-25-26-51(45)7/h8-30H,1-7H3.
What are the key properties of 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole?
9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole has a molecular weight of 676.91 g/mol, XLogP of 11.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole is sourced from PubChem (CID 140715844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).