2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine

C37H28N2 — CID 121450738

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C37H28N2/c1-37(2)32-16-10-9-15-30(32)31-22-21-29(23-33(31)37)25-17-19-28(20-18-25)36-38-34(26-11-5-3-6-12-26)24-35(39-36)27-13-7-4-8-14-27/h3-24H,1-2H3
InChIKeyKINODHMTXLWHQN-UHFFFAOYSA-N
MW500.65 g/mol
LogP9.45
Rot. Bonds4

About 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 121450738) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID121450738
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C37H28N2/c1-37(2)32-16-10-9-15-30(32)31-22-21-29(23-33(31)37)25-17-19-28(20-18-25)36-38-34(26-11-5-3-6-12-26)24-35(39-36)27-13-7-4-8-14-27/h3-24H,1-2H3
InChIKeyKINODHMTXLWHQN-UHFFFAOYSA-N
XLogP9.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
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
2,4-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 59188587
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58233424
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778832
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
4-[4-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776847
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine (CID 121450738) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is KINODHMTXLWHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-37(2)32-16-10-9-15-30(32)31-22-21-29(23-33(31)37)25-17-19-28(20-18-25)36-38-34(26-11-5-3-6-12-26)24-35(39-36)27-13-7-4-8-14-27/h3-24H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 500.65 g/mol, XLogP of 9.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 121450738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).