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

C49H35N3 — CID 129312019

IUPAC1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)42-25-11-9-21-38(42)39-28-27-35(30-43(39)49)34-19-13-20-36(29-34)37-23-14-24-41-40-22-10-12-26-46(40)52(47(37)41)48-50-44(32-15-5-3-6-16-32)31-45(51-48)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyOEOOKQRMRBERCQ-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.55
Rot. Bonds5

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

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole (PubChem CID 129312019) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
PubChem CID129312019
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)42-25-11-9-21-38(42)39-28-27-35(30-43(39)49)34-19-13-20-36(29-34)37-23-14-24-41-40-22-10-12-26-46(40)52(47(37)41)48-50-44(32-15-5-3-6-16-32)31-45(51-48)33-17-7-4-8-18-33/h3-31H,1-2H3
InChIKeyOEOOKQRMRBERCQ-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
5-(9,9-dimethylfluoren-2-yl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-c]carbazole
CID 138649925
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
9-[4-[3-[3,6-bis(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-(2-phenylphenyl)phenyl]pyrimidin-2-yl]-3,6-bis(9,9-dimethylfluoren-2-yl)carbazole
CID 134237011
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
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The IUPAC name of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole (CID 129312019) is 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole.
What is the SMILES notation for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The canonical SMILES for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4cccc5c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c45)c3)cc21.
What is the InChIKey of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The InChIKey is OEOOKQRMRBERCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)42-25-11-9-21-38(42)39-28-27-35(30-43(39)49)34-19-13-20-36(29-34)37-23-14-24-41-40-22-10-12-26-46(40)52(47(37)41)48-50-44(32-15-5-3-6-16-32)31-45(51-48)33-17-7-4-8-18-33/h3-31H,1-2H3.
What are the key properties of 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole has a molecular weight of 665.84 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole is sourced from PubChem (CID 129312019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).