2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine

C38H31N3 — CID 167364612

IUPAC2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cnc(C)c(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C38H31N3/c1-24-21-33(27(4)39-23-24)31-14-10-16-35-36(31)32-13-8-9-15-34(32)38(35,29-11-6-5-7-12-29)30-19-17-28(18-20-30)37-40-25(2)22-26(3)41-37/h5-23H,1-4H3
InChIKeyNOLTXSDAEMILIS-UHFFFAOYSA-N
MW529.69 g/mol
LogP8.80
Rot. Bonds4

About 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine

2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine (PubChem CID 167364612) has the molecular formula C38H31N3 and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine
PubChem CID167364612
Molecular FormulaC38H31N3
Molecular Weight529.69 g/mol
Exact Mass529.25
IUPAC Name2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine
SMILESCc1cnc(C)c(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(C)cc(C)n3)cc2)c1
InChIInChI=1S/C38H31N3/c1-24-21-33(27(4)39-23-24)31-14-10-16-35-36(31)32-13-8-9-15-34(32)38(35,29-11-6-5-7-12-29)30-19-17-28(18-20-30)37-40-25(2)22-26(3)41-37/h5-23H,1-4H3
InChIKeyNOLTXSDAEMILIS-UHFFFAOYSA-N
XLogP8.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.69
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
2-(9,9-diphenylfluoren-4-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 146505773
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
4,6-dimethyl-2-[4'-(3-methyl-4-pyridinyl)-9,9'-spirobi[fluorene]-3-yl]pyrimidine
CID 167364469
ethane;4-(7-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 144938996
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[4-[4-[4-(9,9-diphenylfluoren-4-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134569779
2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 123496418
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168777472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine (CID 167364612) is 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine is Cc1cnc(C)c(-c2cccc3c2-c2ccccc2C3(c2ccccc2)c2ccc(-c3nc(C)cc(C)n3)cc2)c1.
What is the InChIKey of 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine?
The InChIKey is NOLTXSDAEMILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N3/c1-24-21-33(27(4)39-23-24)31-14-10-16-35-36(31)32-13-8-9-15-34(32)38(35,29-11-6-5-7-12-29)30-19-17-28(18-20-30)37-40-25(2)22-26(3)41-37/h5-23H,1-4H3.
What are the key properties of 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine?
2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine has a molecular weight of 529.69 g/mol, XLogP of 8.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,5-dimethyl-3-pyridinyl)-9-phenylfluoren-9-yl]phenyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 167364612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).