4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine

C65H42N2 — CID 168777945

IUPAC4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7cccc8ccccc78)n6)c6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C65H42N2/c1-3-24-49(25-4-1)65(50-26-5-2-6-27-50)59-34-14-13-31-58(59)63-53(32-17-35-60(63)65)47-23-15-22-46(41-47)52-38-39-56(55-30-12-11-29-54(52)55)62-42-61(48-37-36-43-18-7-8-20-45(43)40-48)66-64(67-62)57-33-16-21-44-19-9-10-28-51(44)57/h1-42H
InChIKeyJGXUNMGUUDEOAU-UHFFFAOYSA-N
MW851.07 g/mol
LogP16.63
Rot. Bonds7

About 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine

4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (PubChem CID 168777945) has the molecular formula C65H42N2 and a molecular weight of 851.07 g/mol. Its IUPAC name is 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
PubChem CID168777945
Molecular FormulaC65H42N2
Molecular Weight851.07 g/mol
Exact Mass850.33
IUPAC Name4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7cccc8ccccc78)n6)c6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C65H42N2/c1-3-24-49(25-4-1)65(50-26-5-2-6-27-50)59-34-14-13-31-58(59)63-53(32-17-35-60(63)65)47-23-15-22-46(41-47)52-38-39-56(55-30-12-11-29-54(52)55)62-42-61(48-37-36-43-18-7-8-20-45(43)40-48)66-64(67-62)57-33-16-21-44-19-9-10-28-51(44)57/h1-42H
InChIKeyJGXUNMGUUDEOAU-UHFFFAOYSA-N
XLogP16.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.07
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168776798
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168777720
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778142
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
2-[4-[4-(7,7-diphenylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168778962
2-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168779478
4-[4-(7,7-diphenylbenzo[c]fluoren-10-yl)naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 168777357

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (CID 168777945) is 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cccc(-c5ccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7cccc8ccccc78)n6)c6ccccc56)c4)cccc32)cc1.
What is the InChIKey of 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The InChIKey is JGXUNMGUUDEOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2/c1-3-24-49(25-4-1)65(50-26-5-2-6-27-50)59-34-14-13-31-58(59)63-53(32-17-35-60(63)65)47-23-15-22-46(41-47)52-38-39-56(55-30-12-11-29-54(52)55)62-42-61(48-37-36-43-18-7-8-20-45(43)40-48)66-64(67-62)57-33-16-21-44-19-9-10-28-51(44)57/h1-42H.
What are the key properties of 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine has a molecular weight of 851.07 g/mol, XLogP of 16.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 168777945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).