3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole

C49H35N3 — CID 145327908

IUPAC3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)41-23-13-12-21-37(41)38-27-25-35(30-42(38)49)34-26-28-45-40(29-34)47-39(22-14-24-46(47)52(45)36-19-10-5-11-20-36)44-31-43(32-15-6-3-7-16-32)50-48(51-44)33-17-8-4-9-18-33/h3-31H,1-2H3
InChIKeyJOOCIFKUEOFFTN-UHFFFAOYSA-N
MW665.84 g/mol
LogP12.55
Rot. Bonds5

About 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole

3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole (PubChem CID 145327908) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
PubChem CID145327908
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccccc3)cc21
InChIInChI=1S/C49H35N3/c1-49(2)41-23-13-12-21-37(41)38-27-25-35(30-42(38)49)34-26-28-45-40(29-34)47-39(22-14-24-46(47)52(45)36-19-10-5-11-20-36)44-31-43(32-15-6-3-7-16-32)50-48(51-44)33-17-8-4-9-18-33/h3-31H,1-2H3
InChIKeyJOOCIFKUEOFFTN-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-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole 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

3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole
CID 163759437
5-[3-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265309
3-(9,9-dimethylfluoren-3-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-(4-phenylphenyl)carbazole;ethane
CID 145327566
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
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
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
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
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole (CID 145327908) is 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccccc3)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole?
The InChIKey is JOOCIFKUEOFFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c1-49(2)41-23-13-12-21-37(41)38-27-25-35(30-42(38)49)34-26-28-45-40(29-34)47-39(22-14-24-46(47)52(45)36-19-10-5-11-20-36)44-31-43(32-15-6-3-7-16-32)50-48(51-44)33-17-8-4-9-18-33/h3-31H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole?
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole 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-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 145327908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).