4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine

C25H19ClN2 — CID 171584779

IUPAC4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc(Cl)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C25H19ClN2/c1-25(2)20-14-7-6-11-17(20)18-12-8-13-19(23(18)25)21-15-22(26)28-24(27-21)16-9-4-3-5-10-16/h3-15H,1-2H3
InChIKeyWXDPPDIWXDPFAL-UHFFFAOYSA-N
MW382.89 g/mol
LogP6.77
Rot. Bonds2

About 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine

4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine (PubChem CID 171584779) has the molecular formula C25H19ClN2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
PubChem CID171584779
Molecular FormulaC25H19ClN2
Molecular Weight382.89 g/mol
Exact Mass382.12
IUPAC Name4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cc(Cl)nc(-c4ccccc4)n3)c21
InChIInChI=1S/C25H19ClN2/c1-25(2)20-14-7-6-11-17(20)18-12-8-13-19(23(18)25)21-15-22(26)28-24(27-21)16-9-4-3-5-10-16/h3-15H,1-2H3
InChIKeyWXDPPDIWXDPFAL-UHFFFAOYSA-N
XLogP6.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(9,9-dimethylfluoren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150867
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 166995548
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 162196088
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-1-yl)-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 126544515
2-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167344623
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130465630
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine (CID 171584779) is 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine is CC1(C)c2ccccc2-c2cccc(-c3cc(Cl)nc(-c4ccccc4)n3)c21.
What is the InChIKey of 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
The InChIKey is WXDPPDIWXDPFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2/c1-25(2)20-14-7-6-11-17(20)18-12-8-13-19(23(18)25)21-15-22(26)28-24(27-21)16-9-4-3-5-10-16/h3-15H,1-2H3.
What are the key properties of 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine?
4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine has a molecular weight of 382.89 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine is sourced from PubChem (CID 171584779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).