4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine

C34H30N2 — CID 139516717

IUPAC4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)n1
InChIInChI=1S/C34H30N2/c1-21-22(2)35-23(3)36-33(21)28-13-9-12-26(19-28)24-10-8-11-25(18-24)27-16-17-30-29-14-6-7-15-31(29)34(4,5)32(30)20-27/h6-20H,1-5H3
InChIKeyUJNMHDUPMWZWIQ-UHFFFAOYSA-N
MW466.63 g/mol
LogP8.71
Rot. Bonds3

About 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine

4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine (PubChem CID 139516717) has the molecular formula C34H30N2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine
PubChem CID139516717
Molecular FormulaC34H30N2
Molecular Weight466.63 g/mol
Exact Mass466.24
IUPAC Name4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)n1
InChIInChI=1S/C34H30N2/c1-21-22(2)35-23(3)36-33(21)28-13-9-12-26(19-28)24-10-8-11-25(18-24)27-16-17-30-29-14-6-7-15-31(29)34(4,5)32(30)20-27/h6-20H,1-5H3
InChIKeyUJNMHDUPMWZWIQ-UHFFFAOYSA-N
XLogP8.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine 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

2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
2-(3-fluoro-2-methylphenyl)-9,9-dimethylfluorene
CID 90266642
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
6-(9,9-dimethylfluoren-2-yl)-2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-phenylpyridine
CID 58881124
2,3,5-triphenyl-6-[3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]pyrazine
CID 166901883
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 58881198
6,6,12,12-tetramethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]indeno[1,2-b]fluorene
CID 140710753
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine?
The IUPAC name of 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine (CID 139516717) is 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine.
What is the SMILES notation for 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine?
The canonical SMILES for 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine is Cc1nc(C)c(C)c(-c2cccc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)c2)n1.
What is the InChIKey of 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine?
The InChIKey is UJNMHDUPMWZWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2/c1-21-22(2)35-23(3)36-33(21)28-13-9-12-26(19-28)24-10-8-11-25(18-24)27-16-17-30-29-14-6-7-15-31(29)34(4,5)32(30)20-27/h6-20H,1-5H3.
What are the key properties of 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine?
4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine has a molecular weight of 466.63 g/mol, XLogP of 8.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2,5,6-trimethylpyrimidine is sourced from PubChem (CID 139516717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).