3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole

C58H43N — CID 59221341

IUPAC3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc3-4)ccc21
InChIInChI=1S/C58H43N/c1-2-59-55-31-19-18-30-51(55)52-38-41(33-37-56(52)59)42-32-35-49-50-36-34-48(40-54(50)58(53(49)39-42,46-26-14-6-15-27-46)47-28-16-7-17-29-47)57(43-20-8-3-9-21-43,44-22-10-4-11-23-44)45-24-12-5-13-25-45/h3-40H,2H2,1H3
InChIKeyHLQFQKOOPDCWNU-UHFFFAOYSA-N
MW753.99 g/mol
LogP14.23
Rot. Bonds8

About 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole

3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole (PubChem CID 59221341) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole.

Molecular Properties

Compound Name3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
PubChem CID59221341
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC Name3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc3-4)ccc21
InChIInChI=1S/C58H43N/c1-2-59-55-31-19-18-30-51(55)52-38-41(33-37-56(52)59)42-32-35-49-50-36-34-48(40-54(50)58(53(49)39-42,46-26-14-6-15-27-46)47-28-16-7-17-29-47)57(43-20-8-3-9-21-43,44-22-10-4-11-23-44)45-24-12-5-13-25-45/h3-40H,2H2,1H3
InChIKeyHLQFQKOOPDCWNU-UHFFFAOYSA-N
XLogP14.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 514.23
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

9-ethyl-3-tritylcarbazole
CID 91743871
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-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3-(9-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
CID 59221295
9-benzyl-3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethylcarbazole;3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-methylcarbazole;9-ethyl-3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 157304765
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
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
2-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)triphenylene
CID 58795230
3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3-[9,9-bis(4-decoxyphenyl)-7-(9-octylcarbazol-3-yl)fluoren-2-yl]-9-octylcarbazole
CID 59724439

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole?
The IUPAC name of 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole (CID 59221341) is 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole.
What is the SMILES notation for 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole?
The canonical SMILES for 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole is CCn1c2ccccc2c2cc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C(c5ccccc5)(c5ccccc5)c5ccccc5)ccc3-4)ccc21.
What is the InChIKey of 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole?
The InChIKey is HLQFQKOOPDCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-2-59-55-31-19-18-30-51(55)52-38-41(33-37-56(52)59)42-32-35-49-50-36-34-48(40-54(50)58(53(49)39-42,46-26-14-6-15-27-46)47-28-16-7-17-29-47)57(43-20-8-3-9-21-43,44-22-10-4-11-23-44)45-24-12-5-13-25-45/h3-40H,2H2,1H3.
What are the key properties of 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole?
3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole has a molecular weight of 753.99 g/mol, XLogP of 14.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenyl-7-tritylfluoren-2-yl)-9-ethylcarbazole is sourced from PubChem (CID 59221341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).