2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine

C51H34N2 — CID 168779478

IUPAC2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C51H34N2/c1-5-18-35(19-6-1)47-34-48(36-20-7-2-8-21-36)53-50(52-47)43-33-32-41(39-26-13-14-27-40(39)43)42-29-17-31-46-49(42)44-28-15-16-30-45(44)51(46,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-34H
InChIKeyVUYDRDULOUJAHR-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.66
Rot. Bonds6

About 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine

2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine (PubChem CID 168779478) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
PubChem CID168779478
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC Name2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C51H34N2/c1-5-18-35(19-6-1)47-34-48(36-20-7-2-8-21-36)53-50(52-47)43-33-32-41(39-26-13-14-27-40(39)43)42-29-17-31-46-49(42)44-28-15-16-30-45(44)51(46,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-34H
InChIKeyVUYDRDULOUJAHR-UHFFFAOYSA-N
XLogP12.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
4-dibenzothiophen-2-yl-2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168777612
4-dibenzofuran-2-yl-2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779159
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 168777472
2-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168779212
4-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 168777628
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
2-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168780032
4-[4-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-4-yl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168777546
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-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine (CID 168779478) is 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine?
The InChIKey is VUYDRDULOUJAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-5-18-35(19-6-1)47-34-48(36-20-7-2-8-21-36)53-50(52-47)43-33-32-41(39-26-13-14-27-40(39)43)42-29-17-31-46-49(42)44-28-15-16-30-45(44)51(46,37-22-9-3-10-23-37)38-24-11-4-12-25-38/h1-34H.
What are the key properties of 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine?
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine has a molecular weight of 674.85 g/mol, XLogP of 12.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 168779478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).