4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine

C70H46N4 — CID 170025705

IUPAC4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C70H46N4/c1-5-25-49(26-6-1)63-45-65(73-69(71-63)51-29-9-3-10-30-51)57-37-17-19-39-59(57)67-61(55-41-21-33-47-23-13-15-35-53(47)55)43-44-62(56-42-22-34-48-24-14-16-36-54(48)56)68(67)60-40-20-18-38-58(60)66-46-64(50-27-7-2-8-28-50)72-70(74-66)52-31-11-4-12-32-52/h1-46H
InChIKeyUYSWSPBFKZNPKQ-UHFFFAOYSA-N
MW943.17 g/mol
LogP18.24
Rot. Bonds10

About 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine

4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 170025705) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID170025705
Molecular FormulaC70H46N4
Molecular Weight943.17 g/mol
Exact Mass942.37
IUPAC Name4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C70H46N4/c1-5-25-49(26-6-1)63-45-65(73-69(71-63)51-29-9-3-10-30-51)57-37-17-19-39-59(57)67-61(55-41-21-33-47-23-13-15-35-53(47)55)43-44-62(56-42-22-34-48-24-14-16-36-54(48)56)68(67)60-40-20-18-38-58(60)66-46-64(50-27-7-2-8-28-50)72-70(74-66)52-31-11-4-12-32-52/h1-46H
InChIKeyUYSWSPBFKZNPKQ-UHFFFAOYSA-N
XLogP18.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.17
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
4-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 145299161
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[10-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
CID 135245605
4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)-2,6-diphenylpyrimidine
CID 59722112
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
4-naphthalen-1-yl-6-[4-[2-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]propan-2-yl]phenyl]-2-phenylpyrimidine
CID 130392242
4-[4-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168777372
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine (CID 170025705) is 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccccc3-c3c(-c4cccc5ccccc45)ccc(-c4cccc5ccccc45)c3-c3ccccc3-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is UYSWSPBFKZNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-5-25-49(26-6-1)63-45-65(73-69(71-63)51-29-9-3-10-30-51)57-37-17-19-39-59(57)67-61(55-41-21-33-47-23-13-15-35-53(47)55)43-44-62(56-42-22-34-48-24-14-16-36-54(48)56)68(67)60-40-20-18-38-58(60)66-46-64(50-27-7-2-8-28-50)72-70(74-66)52-31-11-4-12-32-52/h1-46H.
What are the key properties of 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine?
4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 943.17 g/mol, XLogP of 18.24, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dinaphthalen-1-ylphenyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 170025705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).