4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine

C31H23ClN2 — CID 176758761

IUPAC4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C31H23ClN2/c1-31(2)26-15-13-22(17-24(26)25-18-23(32)14-16-27(25)31)29-19-28(20-9-5-3-6-10-20)33-30(34-29)21-11-7-4-8-12-21/h3-19H,1-2H3
InChIKeyBRIXGXKLWFEBFU-UHFFFAOYSA-N
MW458.99 g/mol
LogP8.44
Rot. Bonds3

About 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine

4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine (PubChem CID 176758761) has the molecular formula C31H23ClN2 and a molecular weight of 458.99 g/mol. Its IUPAC name is 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine
PubChem CID176758761
Molecular FormulaC31H23ClN2
Molecular Weight458.99 g/mol
Exact Mass458.15
IUPAC Name4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine
SMILESCC1(C)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C31H23ClN2/c1-31(2)26-15-13-22(17-24(26)25-18-23(32)14-16-27(25)31)29-19-28(20-9-5-3-6-10-20)33-30(34-29)21-11-7-4-8-12-21/h3-19H,1-2H3
InChIKeyBRIXGXKLWFEBFU-UHFFFAOYSA-N
XLogP8.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614101
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-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
4-(9,9-dimethylfluoren-2-yl)-6-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168779800
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168779834
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168779638

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine?
The IUPAC name of 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine (CID 176758761) is 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine?
The canonical SMILES for 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine is CC1(C)c2ccc(Cl)cc2-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine?
The InChIKey is BRIXGXKLWFEBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClN2/c1-31(2)26-15-13-22(17-24(26)25-18-23(32)14-16-27(25)31)29-19-28(20-9-5-3-6-10-20)33-30(34-29)21-11-7-4-8-12-21/h3-19H,1-2H3.
What are the key properties of 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine?
4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine has a molecular weight of 458.99 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-9,9-dimethylfluoren-3-yl)-2,6-diphenylpyrimidine is sourced from PubChem (CID 176758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).