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

C49H35N3 — CID 129312503

IUPAC3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nccc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)43-18-10-8-16-39(43)40-26-22-35(31-44(40)49)38-15-7-6-14-37(38)34-23-27-47-42(30-34)41-17-9-11-19-46(41)52(47)36-24-20-33(21-25-36)48-50-29-28-45(51-48)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyMNDORARMLOFVJF-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.55
Rot. Bonds5

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

3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 129312503) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID129312503
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nccc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)43-18-10-8-16-39(43)40-26-22-35(31-44(40)49)38-15-7-6-14-37(38)34-23-27-47-42(30-34)41-17-9-11-19-46(41)52(47)36-24-20-33(21-25-36)48-50-29-28-45(51-48)32-12-4-3-5-13-32/h3-31H,1-2H3
InChIKeyMNDORARMLOFVJF-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

Analyze 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]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-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-2-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 145327913
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
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-[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-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 90182892
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
6-(9,9-dimethylfluoren-2-yl)-9-phenanthren-2-yl-1-[3-(4-phenylpyrimidin-2-yl)phenyl]carbazole
CID 145327459
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
3-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 67678505

Frequently Asked Questions

What is the IUPAC name of 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole (CID 129312503) is 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nccc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is MNDORARMLOFVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)43-18-10-8-16-39(43)40-26-22-35(31-44(40)49)38-15-7-6-14-37(38)34-23-27-47-42(30-34)41-17-9-11-19-46(41)52(47)36-24-20-33(21-25-36)48-50-29-28-45(51-48)32-12-4-3-5-13-32/h3-31H,1-2H3.
What are the key properties of 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole?
3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]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 3-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(4-phenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 129312503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).