2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine

C43H33N3 — CID 156513095

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C43H33N3/c1-28-33(25-26-38(44-28)30-13-6-4-7-14-30)29-21-23-32(24-22-29)40-27-39(31-15-8-5-9-16-31)45-42(46-40)35-18-12-20-37-41(35)34-17-10-11-19-36(34)43(37,2)3/h4-27H,1-3H3
InChIKeyKNVGWDHYCFTSNR-UHFFFAOYSA-N
MW591.76 g/mol
LogP10.82
Rot. Bonds5

About 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine

2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine (PubChem CID 156513095) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine
PubChem CID156513095
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C43H33N3/c1-28-33(25-26-38(44-28)30-13-6-4-7-14-30)29-21-23-32(24-22-29)40-27-39(31-15-8-5-9-16-31)45-42(46-40)35-18-12-20-37-41(35)34-17-10-11-19-36(34)43(37,2)3/h4-27H,1-3H3
InChIKeyKNVGWDHYCFTSNR-UHFFFAOYSA-N
XLogP10.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4,6-diphenylpyrimidine
CID 175459036
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-(9,9-dimethylfluoren-4-yl)-4,6-bis(4-pyridin-3-ylphenyl)pyrimidine
CID 126543598
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176793458
2-[2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine
CID 176794554
2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 175619642
2-(9,9-dimethylfluoren-4-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146632838
2-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-4,6-diphenylpyrimidine
CID 176794076
2,4-bis(9,9-dimethylfluoren-4-yl)-6-(4-methylphenyl)-1,3,5-triazine
CID 126543875
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine (CID 156513095) is 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine is Cc1nc(-c2ccccc2)ccc1-c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C4(C)C)n2)cc1.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine?
The InChIKey is KNVGWDHYCFTSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-28-33(25-26-38(44-28)30-13-6-4-7-14-30)29-21-23-32(24-22-29)40-27-39(31-15-8-5-9-16-31)45-42(46-40)35-18-12-20-37-41(35)34-17-10-11-19-36(34)43(37,2)3/h4-27H,1-3H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine?
2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine has a molecular weight of 591.76 g/mol, XLogP of 10.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-4-yl)-4-[4-(2-methyl-6-phenyl-3-pyridinyl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 156513095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).