3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole

C53H40FN — CID 59221295

IUPAC3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
SMILESCCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C53H40FN/c1-3-52(2)48-34-37(36-24-32-51-47(33-36)46-21-13-14-22-50(46)55(51)43-28-26-42(54)27-29-43)23-30-44(48)45-31-25-41(35-49(45)52)53(38-15-7-4-8-16-38,39-17-9-5-10-18-39)40-19-11-6-12-20-40/h4-35H,3H2,1-2H3
InChIKeyZOUHBAGSCIQBKG-UHFFFAOYSA-N
MW709.91 g/mol
LogP13.67
Rot. Bonds7

About 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole

3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole (PubChem CID 59221295) has the molecular formula C53H40FN and a molecular weight of 709.91 g/mol. Its IUPAC name is 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
PubChem CID59221295
Molecular FormulaC53H40FN
Molecular Weight709.91 g/mol
Exact Mass709.31
IUPAC Name3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
SMILESCCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C53H40FN/c1-3-52(2)48-34-37(36-24-32-51-47(33-36)46-21-13-14-22-50(46)55(51)43-28-26-42(54)27-29-43)23-30-44(48)45-31-25-41(35-49(45)52)53(38-15-7-4-8-16-38,39-17-9-5-10-18-39)40-19-11-6-12-20-40/h4-35H,3H2,1-2H3
InChIKeyZOUHBAGSCIQBKG-UHFFFAOYSA-N
XLogP13.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
CID 59221341
7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157390328
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
3-[9,10-bis(4-tert-butylphenyl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;3-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole
CID 159087841
9-(4-tert-butylphenyl)-3-[5-[7-[5-[9-(4-tert-butylphenyl)carbazol-3-yl]thiophen-2-yl]-9,9-dimethylfluoren-2-yl]thiophen-2-yl]carbazole
CID 59236651
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
9-phenyl-3-(3-tritylcarbazol-9-yl)carbazole
CID 164756650

Frequently Asked Questions

What is the IUPAC name of 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The IUPAC name of 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole (CID 59221295) is 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole.
What is the SMILES notation for 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The canonical SMILES for 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole is CCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(F)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
The InChIKey is ZOUHBAGSCIQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40FN/c1-3-52(2)48-34-37(36-24-32-51-47(33-36)46-21-13-14-22-50(46)55(51)43-28-26-42(54)27-29-43)23-30-44(48)45-31-25-41(35-49(45)52)53(38-15-7-4-8-16-38,39-17-9-5-10-18-39)40-19-11-6-12-20-40/h4-35H,3H2,1-2H3.
What are the key properties of 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole?
3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole has a molecular weight of 709.91 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 59221295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).