9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole

C48H34N4 — CID 67678424

IUPAC9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C48H34N4/c1-48(2)41-17-9-6-14-37(41)38-21-20-33(29-42(38)48)43-30-44(51-47(50-43)32-12-4-3-5-13-32)35-26-34(31-22-24-49-25-23-31)27-36(28-35)52-45-18-10-7-15-39(45)40-16-8-11-19-46(40)52/h3-30H,1-2H3
InChIKeyPUYUUZWRPCVWCV-UHFFFAOYSA-N
MW666.83 g/mol
LogP11.94
Rot. Bonds5

About 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole

9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole (PubChem CID 67678424) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
PubChem CID67678424
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C48H34N4/c1-48(2)41-17-9-6-14-37(41)38-21-20-33(29-42(38)48)43-30-44(51-47(50-43)32-12-4-3-5-13-32)35-26-34(31-22-24-49-25-23-31)27-36(28-35)52-45-18-10-7-15-39(45)40-16-8-11-19-46(40)52/h3-30H,1-2H3
InChIKeyPUYUUZWRPCVWCV-UHFFFAOYSA-N
XLogP11.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
9-[3-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 67678526
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
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
9-[3-dibenzofuran-2-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678611
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-carbazol-9-yl-5-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158160241
4-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile
CID 140922153
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170

Frequently Asked Questions

What is the IUPAC name of 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole?
The IUPAC name of 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole (CID 67678424) is 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole.
What is the SMILES notation for 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole?
The canonical SMILES for 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole?
The InChIKey is PUYUUZWRPCVWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-48(2)41-17-9-6-14-37(41)38-21-20-33(29-42(38)48)43-30-44(51-47(50-43)32-12-4-3-5-13-32)35-26-34(31-22-24-49-25-23-31)27-36(28-35)52-45-18-10-7-15-39(45)40-16-8-11-19-46(40)52/h3-30H,1-2H3.
What are the key properties of 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole?
9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole has a molecular weight of 666.83 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-5-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 67678424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).