12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole

C56H39N3 — CID 121385344

IUPAC12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)c5c43)cc21
InChIInChI=1S/C56H39N3/c1-56(2)48-22-12-9-19-42(48)43-30-29-41(35-49(43)56)59-53-24-14-11-21-45(53)47-32-31-46-44-20-10-13-23-52(44)58(54(46)55(47)59)40-27-25-38(26-28-40)51-34-39(36-15-5-3-6-16-36)33-50(57-51)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyWXURPPREDHIOLZ-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.58
Rot. Bonds5

About 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole

12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole (PubChem CID 121385344) has the molecular formula C56H39N3 and a molecular weight of 753.95 g/mol. Its IUPAC name is 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
PubChem CID121385344
Molecular FormulaC56H39N3
Molecular Weight753.95 g/mol
Exact Mass753.31
IUPAC Name12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)c5c43)cc21
InChIInChI=1S/C56H39N3/c1-56(2)48-22-12-9-19-42(48)43-30-29-41(35-49(43)56)59-53-24-14-11-21-45(53)47-32-31-46-44-20-10-13-23-52(44)58(54(46)55(47)59)40-27-25-38(26-28-40)51-34-39(36-15-5-3-6-16-36)33-50(57-51)37-17-7-4-8-18-37/h3-35H,1-2H3
InChIKeyWXURPPREDHIOLZ-UHFFFAOYSA-N
XLogP14.58
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
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
11-[4-(3,5-diphenylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158828400
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole;9-(4,6-diphenyl-2-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 163711135
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-3-yl]carbazole;9-(2,6-diphenyl-4-pyridinyl)-3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazole
CID 160723883
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole (CID 121385344) is 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cc(-c8ccccc8)cc(-c8ccccc8)n7)cc6)c5c43)cc21.
What is the InChIKey of 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
The InChIKey is WXURPPREDHIOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N3/c1-56(2)48-22-12-9-19-42(48)43-30-29-41(35-49(43)56)59-53-24-14-11-21-45(53)47-32-31-46-44-20-10-13-23-52(44)58(54(46)55(47)59)40-27-25-38(26-28-40)51-34-39(36-15-5-3-6-16-36)33-50(57-51)37-17-7-4-8-18-37/h3-35H,1-2H3.
What are the key properties of 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole?
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole has a molecular weight of 753.95 g/mol, XLogP of 14.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 121385344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).