6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole

C57H39N3 — CID 145327459

IUPAC6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nccc(-c7ccccc7)n6)c5)c3n4-c3ccc4c(ccc5ccccc54)c3)cc21
InChIInChI=1S/C57H39N3/c1-57(2)51-21-9-8-18-47(51)48-27-24-39(35-52(48)57)38-25-29-54-50(34-38)49-20-11-19-46(40-15-10-16-42(32-40)56-58-31-30-53(59-56)37-13-4-3-5-14-37)55(49)60(54)43-26-28-45-41(33-43)23-22-36-12-6-7-17-44(36)45/h3-35H,1-2H3
InChIKeyHLLWDJNOAKZKNC-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.85
Rot. Bonds5

About 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole

6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 145327459) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID145327459
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nccc(-c7ccccc7)n6)c5)c3n4-c3ccc4c(ccc5ccccc54)c3)cc21
InChIInChI=1S/C57H39N3/c1-57(2)51-21-9-8-18-47(51)48-27-24-39(35-52(48)57)38-25-29-54-50(34-38)49-20-11-19-46(40-15-10-16-42(32-40)56-58-31-30-53(59-56)37-13-4-3-5-14-37)55(49)60(54)43-26-28-45-41(33-43)23-22-36-12-6-7-17-44(36)45/h3-35H,1-2H3
InChIKeyHLLWDJNOAKZKNC-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-2-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 145327913
3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 129312503
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
9-(9,9-dimethylfluoren-2-yl)-3,6-di(phenanthren-9-yl)carbazole
CID 118475067
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
3-(9,9-dimethylfluoren-2-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327636
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole (CID 145327459) is 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cccc(-c5cccc(-c6nccc(-c7ccccc7)n6)c5)c3n4-c3ccc4c(ccc5ccccc54)c3)cc21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is HLLWDJNOAKZKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-57(2)51-21-9-8-18-47(51)48-27-24-39(35-52(48)57)38-25-29-54-50(34-38)49-20-11-19-46(40-15-10-16-42(32-40)56-58-31-30-53(59-56)37-13-4-3-5-14-37)55(49)60(54)43-26-28-45-41(33-43)23-22-36-12-6-7-17-44(36)45/h3-35H,1-2H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 765.96 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 145327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).