8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline

C40H29N3 — CID 126544539

IUPAC8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21
InChIInChI=1S/C40H29N3/c1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30/h3-25H,1-2H3
InChIKeyQEBPYVMMXPSVQL-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.00
Rot. Bonds4

About 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline

8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline (PubChem CID 126544539) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
PubChem CID126544539
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21
InChIInChI=1S/C40H29N3/c1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30/h3-25H,1-2H3
InChIKeyQEBPYVMMXPSVQL-UHFFFAOYSA-N
XLogP10.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(11,11-dimethylbenzo[h]fluoren-1-yl)-4,6-diphenylpyrimidine;2-(9,9-dimethylfluoren-1-yl)-4,6-bis(4-naphthalen-2-ylphenyl)pyrimidine;2-(9,9-dimethylfluoren-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 158193977
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-[4-[4-(10,10-dimethyl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaenyl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 153288173
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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 130465630
4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465640
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-[4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]quinoline
CID 146547877
2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidine
CID 168777752
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
4-[3-[4-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 167344536

Frequently Asked Questions

What is the IUPAC name of 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline (CID 126544539) is 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6cccnc56)cc4)n3)c21.
What is the InChIKey of 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
The InChIKey is QEBPYVMMXPSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(2)34-19-7-6-15-31(34)32-17-9-18-33(37(32)40)39-42-35(27-11-4-3-5-12-27)25-36(43-39)28-22-20-26(21-23-28)30-16-8-13-29-14-10-24-41-38(29)30/h3-25H,1-2H3.
What are the key properties of 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline?
8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline has a molecular weight of 551.69 g/mol, XLogP of 10.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[2-(9,9-dimethylfluoren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 126544539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).