2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole

C48H44N4 — CID 140716409

IUPAC2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
SMILESCn1ccnc1-c1cccc(-n2c3ccccc3c3ccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc32)c1
InChIInChI=1S/C48H44N4/c1-46(2,3)32-18-21-36-37-22-19-33(47(4,5)6)29-41(37)48(40(36)28-32,44-17-10-11-24-49-44)34-20-23-39-38-15-8-9-16-42(38)52(43(39)30-34)35-14-12-13-31(27-35)45-50-25-26-51(45)7/h8-30H,1-7H3
InChIKeyCIBXIUNFDCKDJF-UHFFFAOYSA-N
MW676.91 g/mol
LogP11.54
Rot. Bonds4

About 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole

2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole (PubChem CID 140716409) has the molecular formula C48H44N4 and a molecular weight of 676.91 g/mol. Its IUPAC name is 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
PubChem CID140716409
Molecular FormulaC48H44N4
Molecular Weight676.91 g/mol
Exact Mass676.36
IUPAC Name2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole
SMILESCn1ccnc1-c1cccc(-n2c3ccccc3c3ccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc32)c1
InChIInChI=1S/C48H44N4/c1-46(2,3)32-18-21-36-37-22-19-33(47(4,5)6)29-41(37)48(40(36)28-32,44-17-10-11-24-49-44)34-20-23-39-38-15-8-9-16-42(38)52(43(39)30-34)35-14-12-13-31(27-35)45-50-25-26-51(45)7/h8-30H,1-7H3
InChIKeyCIBXIUNFDCKDJF-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

9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(1-methylimidazol-2-yl)carbazole
CID 140715844
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
9-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenyl]-2-(3-methyl-2H-benzimidazol-1-yl)carbazole
CID 140715589
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658
9-[3-tert-butyl-5-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyrazol-1-ylcarbazole
CID 140715673
2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 140715562
2'-(1-methylimidazol-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 154940216
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
2-[1-methyl-7-(1-methylimidazol-2-yl)benzimidazol-2-yl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 142328673
5-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-7-pyridin-2-ylindeno[2,1-b]carbazole
CID 135176895
9-[3-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991842
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole (CID 140716409) is 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole is Cn1ccnc1-c1cccc(-n2c3ccccc3c3ccc(C4(c5ccccn5)c5cc(C(C)(C)C)ccc5-c5ccc(C(C)(C)C)cc54)cc32)c1.
What is the InChIKey of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole?
The InChIKey is CIBXIUNFDCKDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N4/c1-46(2,3)32-18-21-36-37-22-19-33(47(4,5)6)29-41(37)48(40(36)28-32,44-17-10-11-24-49-44)34-20-23-39-38-15-8-9-16-42(38)52(43(39)30-34)35-14-12-13-31(27-35)45-50-25-26-51(45)7/h8-30H,1-7H3.
What are the key properties of 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole?
2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]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 2-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-[3-(1-methylimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 140716409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).