4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole

C41H33N — CID 164928466

IUPAC4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C41H33N/c1-41(2,3)40-34(37-32-21-12-10-19-30(32)31-20-11-13-22-33(31)37)25-26-36-39(40)38-29(27-15-6-4-7-16-27)23-14-24-35(38)42(36)28-17-8-5-9-18-28/h4-26,37H,1-3H3/i4D,6D,7D,15D,16D
InChIKeyGVKFRYBSFYWTAZ-GVLLMZTQSA-N
MW544.75 g/mol
LogP10.91
Rot. Bonds3

About 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole

4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole (PubChem CID 164928466) has the molecular formula C41H33N and a molecular weight of 544.75 g/mol. Its IUPAC name is 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
PubChem CID164928466
Molecular FormulaC41H33N
Molecular Weight544.75 g/mol
Exact Mass544.29
IUPAC Name4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2ccccc2)c([2H])c1[2H]
InChIInChI=1S/C41H33N/c1-41(2,3)40-34(37-32-21-12-10-19-30(32)31-20-11-13-22-33(31)37)25-26-36-39(40)38-29(27-15-6-4-7-16-27)23-14-24-35(38)42(36)28-17-8-5-9-18-28/h4-26,37H,1-3H3/i4D,6D,7D,15D,16D
InChIKeyGVKFRYBSFYWTAZ-GVLLMZTQSA-N
XLogP10.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.75
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-3-(3,6-ditert-butyl-9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 166564237
4-tert-butyl-3,9-bis(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;4-tert-butyl-9-(3,5-ditert-butylphenyl)-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole;3,4-ditert-butyl-9-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 157313147
4-tert-butyl-5-(3,5-ditert-butylphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 158612142
4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole
CID 164845414
4-tert-butyl-3,9-diphenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159484807
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole
CID 146579190
1-tert-butyl-2-(9H-fluoren-9-yl)-9-phenylcarbazole
CID 170420697
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
4-tert-butyl-9-(3,5-ditert-butylphenyl)-3,5-diphenylcarbazole
CID 146578604
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(3,5-ditert-butylphenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole
CID 159330147
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
4-tert-butyl-3-carbazol-9-yl-5,9-diphenylcarbazole;4-tert-butyl-3-carbazol-9-yl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5,9-diphenylcarbazole;4-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-3-(3,5-ditert-butylphenyl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,9-diphenylcarbazole;4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenyl-3-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;4-tert-butyl-9-phenyl-5-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;3,4-ditert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole
CID 164994587

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole?
The IUPAC name of 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole (CID 164928466) is 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole.
What is the SMILES notation for 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole?
The canonical SMILES for 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2c(C(C)(C)C)c(C4c5ccccc5-c5ccccc54)ccc2n3-c2ccccc2)c([2H])c1[2H].
What is the InChIKey of 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole?
The InChIKey is GVKFRYBSFYWTAZ-GVLLMZTQSA-N. The full InChI is InChI=1S/C41H33N/c1-41(2,3)40-34(37-32-21-12-10-19-30(32)31-20-11-13-22-33(31)37)25-26-36-39(40)38-29(27-15-6-4-7-16-27)23-14-24-35(38)42(36)28-17-8-5-9-18-28/h4-26,37H,1-3H3/i4D,6D,7D,15D,16D.
What are the key properties of 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole?
4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole has a molecular weight of 544.75 g/mol, XLogP of 10.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(9H-fluoren-9-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)-9-phenylcarbazole is sourced from PubChem (CID 164928466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).