4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine

C52H37N3 — CID 167364468

IUPAC4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine
SMILESCc1ccc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5nc(C)cc(-c6cccc7ccccc67)n5)cc43)c2)cn1
InChIInChI=1S/C52H37N3/c1-34-26-27-39(33-53-34)44-22-9-8-21-43(44)37-16-12-19-41(31-37)52(40-17-4-3-5-18-40)48-25-11-10-23-45(48)46-29-28-38(32-49(46)52)51-54-35(2)30-50(55-51)47-24-13-15-36-14-6-7-20-42(36)47/h3-33H,1-2H3
InChIKeyGCTCAMGNLSQLTL-UHFFFAOYSA-N
MW703.89 g/mol
LogP12.67
Rot. Bonds6

About 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine

4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine (PubChem CID 167364468) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine
PubChem CID167364468
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine
SMILESCc1ccc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5nc(C)cc(-c6cccc7ccccc67)n5)cc43)c2)cn1
InChIInChI=1S/C52H37N3/c1-34-26-27-39(33-53-34)44-22-9-8-21-43(44)37-16-12-19-41(31-37)52(40-17-4-3-5-18-40)48-25-11-10-23-45(48)46-29-28-38(32-49(46)52)51-54-35(2)30-50(55-51)47-24-13-15-36-14-6-7-20-42(36)47/h3-33H,1-2H3
InChIKeyGCTCAMGNLSQLTL-UHFFFAOYSA-N
XLogP12.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[5'-[3-[3-(6-methyl-3-pyridinyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2'-yl]-6-naphthalen-1-ylpyrimidine
CID 167364633
2-[9-[3-[2-(2-methyl-4-pyridinyl)phenyl]phenyl]-9-phenylfluoren-3-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 167364369
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
4-(9,9-diphenylfluoren-2-yl)-6-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777762
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-naphthalen-1-yl-10,10-diphenylindeno[1,2-g]quinoline
CID 146594841

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine (CID 167364468) is 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine is Cc1ccc(-c2ccccc2-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5nc(C)cc(-c6cccc7ccccc67)n5)cc43)c2)cn1.
What is the InChIKey of 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine?
The InChIKey is GCTCAMGNLSQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-34-26-27-39(33-53-34)44-22-9-8-21-43(44)37-16-12-19-41(31-37)52(40-17-4-3-5-18-40)48-25-11-10-23-45(48)46-29-28-38(32-49(46)52)51-54-35(2)30-50(55-51)47-24-13-15-36-14-6-7-20-42(36)47/h3-33H,1-2H3.
What are the key properties of 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine?
4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine has a molecular weight of 703.89 g/mol, XLogP of 12.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[9-[3-[2-(6-methyl-3-pyridinyl)phenyl]phenyl]-9-phenylfluoren-2-yl]-6-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 167364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).