3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole

C56H41N — CID 59221316

IUPAC3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H41N/c1-55(2)51-36-41(40-28-33-54-50(35-40)49-24-14-15-25-53(49)57(54)46-30-26-38-16-12-13-17-39(38)34-46)27-31-47(51)48-32-29-45(37-52(48)55)56(42-18-6-3-7-19-42,43-20-8-4-9-21-43)44-22-10-5-11-23-44/h3-37H,1-2H3
InChIKeyPUTKKKSFWFANJC-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.29
Rot. Bonds6

About 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole

3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole (PubChem CID 59221316) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
PubChem CID59221316
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC Name3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C56H41N/c1-55(2)51-36-41(40-28-33-54-50(35-40)49-24-14-15-25-53(49)57(54)46-30-26-38-16-12-13-17-39(38)34-46)27-31-47(51)48-32-29-45(37-52(48)55)56(42-18-6-3-7-19-42,43-20-8-4-9-21-43)44-22-10-5-11-23-44/h3-37H,1-2H3
InChIKeyPUTKKKSFWFANJC-UHFFFAOYSA-N
XLogP14.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.29
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-dimethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221320
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
9-naphthalen-2-yl-3-[4-[(E)-2-[6,6,12,12-tetramethyl-2-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]phenyl]carbazole
CID 59236365
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 59171726
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole (CID 59221316) is 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole is CC1(C)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4ccccc4c3)ccc2-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
The InChIKey is PUTKKKSFWFANJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)51-36-41(40-28-33-54-50(35-40)49-24-14-15-25-53(49)57(54)46-30-26-38-16-12-13-17-39(38)34-46)27-31-47(51)48-32-29-45(37-52(48)55)56(42-18-6-3-7-19-42,43-20-8-4-9-21-43)44-22-10-5-11-23-44/h3-37H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole?
3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole has a molecular weight of 727.95 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-7-tritylfluoren-2-yl)-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 59221316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).