4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine

C25H20N2 — CID 172774010

IUPAC4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ncn3)cc21
InChIInChI=1S/C25H20N2/c1-25(2)21-11-7-6-10-19(21)20-13-12-18(14-22(20)25)24-15-23(26-16-27-24)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyNIMKDLMPXWFDDX-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.12
Rot. Bonds2

About 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine

4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine (PubChem CID 172774010) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
PubChem CID172774010
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ncn3)cc21
InChIInChI=1S/C25H20N2/c1-25(2)21-11-7-6-10-19(21)20-13-12-18(14-22(20)25)24-15-23(26-16-27-24)17-8-4-3-5-9-17/h3-16H,1-2H3
InChIKeyNIMKDLMPXWFDDX-UHFFFAOYSA-N
XLogP6.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)-6-phenylpyrimidine
CID 118472793
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-1,3,5-triazine
CID 118245468
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 118245460
2-(9,9-dimethylfluoren-2-yl)-5-phenylpyridine
CID 59859383
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[(1Z)-buta-1,3-dienyl]-6-(9,9-dimethylfluoren-2-yl)pyrimidine
CID 118637808
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine (CID 172774010) is 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)ncn3)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
The InChIKey is NIMKDLMPXWFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-25(2)21-11-7-6-10-19(21)20-13-12-18(14-22(20)25)24-15-23(26-16-27-24)17-8-4-3-5-9-17/h3-16H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine?
4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine has a molecular weight of 348.45 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 172774010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).