4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

C57H38N2 — CID 146367937

IUPAC4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-5-18-39(19-6-1)40-32-34-42(35-33-40)54-38-55(59-56(58-54)43-21-7-2-8-22-43)51-36-50-48-29-15-16-31-52(48)57(44-24-9-3-10-25-44,45-26-11-4-12-27-45)53(50)37-49(51)47-30-17-23-41-20-13-14-28-46(41)47/h1-38H
InChIKeyQTYJPBWOLJGOJN-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.33
Rot. Bonds7

About 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine

4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 146367937) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID146367937
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C57H38N2/c1-5-18-39(19-6-1)40-32-34-42(35-33-40)54-38-55(59-56(58-54)43-21-7-2-8-22-43)51-36-50-48-29-15-16-31-52(48)57(44-24-9-3-10-25-44,45-26-11-4-12-27-45)53(50)37-49(51)47-30-17-23-41-20-13-14-28-46(41)47/h1-38H
InChIKeyQTYJPBWOLJGOJN-UHFFFAOYSA-N
XLogP14.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine
CID 146367936
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]pyrimidine
CID 137413883
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
2-[3-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(2,6-diphenylpyrimidin-4-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162099195
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
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-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168778038
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572
4-[4-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777168

Frequently Asked Questions

What is the IUPAC name of 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 146367937) is 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc5c(cc4-c4cccc6ccccc46)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is QTYJPBWOLJGOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-5-18-39(19-6-1)40-32-34-42(35-33-40)54-38-55(59-56(58-54)43-21-7-2-8-22-43)51-36-50-48-29-15-16-31-52(48)57(44-24-9-3-10-25-44,45-26-11-4-12-27-45)53(50)37-49(51)47-30-17-23-41-20-13-14-28-46(41)47/h1-38H.
What are the key properties of 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 750.95 g/mol, XLogP of 14.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-naphthalen-1-yl-9,9-diphenylfluoren-3-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 146367937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).