2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine

C41H30N4 — CID 126543598

IUPAC2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cccc21
InChIInChI=1S/C41H30N4/c1-41(2)35-12-4-3-10-33(35)39-34(11-5-13-36(39)41)40-44-37(29-18-14-27(15-19-29)31-8-6-22-42-25-31)24-38(45-40)30-20-16-28(17-21-30)32-9-7-23-43-26-32/h3-26H,1-2H3
InChIKeyFVYHNMGJGKIRGC-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.91
Rot. Bonds5

About 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine

2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 126543598) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID126543598
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cccc21
InChIInChI=1S/C41H30N4/c1-41(2)35-12-4-3-10-33(35)39-34(11-5-13-36(39)41)40-44-37(29-18-14-27(15-19-29)31-8-6-22-42-25-31)24-38(45-40)30-20-16-28(17-21-30)32-9-7-23-43-26-32/h3-26H,1-2H3
InChIKeyFVYHNMGJGKIRGC-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(9,9-dimethylfluoren-4-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632410
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632776
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465640
2-(9,9-diphenylfluoren-4-yl)-4-[4-(4-phenylphenyl)phenyl]-6-pyridin-3-ylpyrimidine
CID 154995544
4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146633236
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)-5-(4-pyridin-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 122431231
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264348
4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-(3-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 146632880
4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-pyren-1-yl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263065
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 168779314

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine (CID 126543598) is 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is FVYHNMGJGKIRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-41(2)35-12-4-3-10-33(35)39-34(11-5-13-36(39)41)40-44-37(29-18-14-27(15-19-29)31-8-6-22-42-25-31)24-38(45-40)30-20-16-28(17-21-30)32-9-7-23-43-26-32/h3-26H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine?
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 578.72 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 126543598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).