3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole

C59H46N2 — CID 59221309

IUPAC3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H46N2/c1-3-58(4-2)53-39-43(42-30-36-57-52(38-42)51-24-14-15-26-56(51)61(57)48-32-27-41(28-33-48)55-25-16-17-37-60-55)29-34-49(53)50-35-31-47(40-54(50)58)59(44-18-8-5-9-19-44,45-20-10-6-11-21-45)46-22-12-7-13-23-46/h5-40H,3-4H2,1-2H3
InChIKeyUYZJZZQOBJGELN-UHFFFAOYSA-N
MW783.03 g/mol
LogP14.98
Rot. Bonds9

About 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole

3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole (PubChem CID 59221309) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
PubChem CID59221309
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C59H46N2/c1-3-58(4-2)53-39-43(42-30-36-57-52(38-42)51-24-14-15-26-56(51)61(57)48-32-27-41(28-33-48)55-25-16-17-37-60-55)29-34-49(53)50-35-31-47(40-54(50)58)59(44-18-8-5-9-19-44,45-20-10-6-11-21-45)46-22-12-7-13-23-46/h5-40H,3-4H2,1-2H3
InChIKeyUYZJZZQOBJGELN-UHFFFAOYSA-N
XLogP14.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-9-methyl-7-tritylfluoren-2-yl)-9-(4-fluorophenyl)carbazole
CID 59221295
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
CID 59221316
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-(4-tritylphenyl)carbazole
CID 130231251
9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
9-(9-phenylcarbazol-3-yl)-3-pyridin-2-yl-6-(trifluoromethyl)carbazole
CID 134343625
[9,9-diethyl-7-[9-(4-phenoxyphenyl)carbazol-3-yl]fluoren-2-yl]-triphenylsilane
CID 88881201

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole (CID 59221309) is 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole is CCC1(CC)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccccn4)cc3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
The InChIKey is UYZJZZQOBJGELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46N2/c1-3-58(4-2)53-39-43(42-30-36-57-52(38-42)51-24-14-15-26-56(51)61(57)48-32-27-41(28-33-48)55-25-16-17-37-60-55)29-34-49(53)50-35-31-47(40-54(50)58)59(44-18-8-5-9-19-44,45-20-10-6-11-21-45)46-22-12-7-13-23-46/h5-40H,3-4H2,1-2H3.
What are the key properties of 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole?
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole has a molecular weight of 783.03 g/mol, XLogP of 14.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 59221309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).