2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline

C40H29N3 — CID 168797147

IUPAC2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5ccccc5n4)n3)cc21
InChIInChI=1S/C40H29N3/c1-40(2)33-23-29(26-11-5-3-6-12-26)17-20-31(33)32-21-18-30(24-34(32)40)38-25-37(27-13-7-4-8-14-27)42-39(43-38)36-22-19-28-15-9-10-16-35(28)41-36/h3-25H,1-2H3
InChIKeyYKYKOKVBYSDQIJ-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.00
Rot. Bonds4

About 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline

2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline (PubChem CID 168797147) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
PubChem CID168797147
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5ccccc5n4)n3)cc21
InChIInChI=1S/C40H29N3/c1-40(2)33-23-29(26-11-5-3-6-12-26)17-20-31(33)32-21-18-30(24-34(32)40)38-25-37(27-13-7-4-8-14-27)42-39(43-38)36-22-19-28-15-9-10-16-35(28)41-36/h3-25H,1-2H3
InChIKeyYKYKOKVBYSDQIJ-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

9,9-dimethyl-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]fluorene-2-carbonitrile
CID 171422045
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-[4-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 168797174
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-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]quinoline
CID 167178476
2-[4-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-6-phenylpyrimidin-2-yl]quinoline
CID 170000154
4-(11,11-dimethylbenzo[a]fluoren-9-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632846
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
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
2,6-bis(9,9-dimethylfluoren-2-yl)-4-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958731

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline?
The IUPAC name of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline (CID 168797147) is 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline.
What is the SMILES notation for 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline?
The canonical SMILES for 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc5ccccc5n4)n3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline?
The InChIKey is YKYKOKVBYSDQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-40(2)33-23-29(26-11-5-3-6-12-26)17-20-31(33)32-21-18-30(24-34(32)40)38-25-37(27-13-7-4-8-14-27)42-39(43-38)36-22-19-28-15-9-10-16-35(28)41-36/h3-25H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline?
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]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 2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)-6-phenylpyrimidin-2-yl]quinoline is sourced from PubChem (CID 168797147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).