4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine

C50H40N2 — CID 121315578

IUPAC4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H40N2/c1-4-15-38(16-5-1)47-35-48(52-49(51-47)40-17-6-2-7-18-40)39-26-30-44(31-27-39)50(32-10-3-11-33-50)43-28-24-36(25-29-43)41-20-12-21-42(34-41)46-23-13-19-37-14-8-9-22-45(37)46/h1-2,4-9,12-31,34-35H,3,10-11,32-33H2
InChIKeySRIIMLMIMHIQEL-UHFFFAOYSA-N
MW668.88 g/mol
LogP13.22
Rot. Bonds7

About 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine

4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine (PubChem CID 121315578) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
PubChem CID121315578
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC Name4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
SMILESc1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C50H40N2/c1-4-15-38(16-5-1)47-35-48(52-49(51-47)40-17-6-2-7-18-40)39-26-30-44(31-27-39)50(32-10-3-11-33-50)43-28-24-36(25-29-43)41-20-12-21-42(34-41)46-23-13-19-37-14-8-9-22-45(37)46/h1-2,4-9,12-31,34-35H,3,10-11,32-33H2
InChIKeySRIIMLMIMHIQEL-UHFFFAOYSA-N
XLogP13.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412
2-naphthalen-1-yl-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 121315629
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylnaphthalen-1-yl)phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)pyrimidine
CID 159818880
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146384801
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
CID 123884226

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine (CID 121315578) is 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine is c1ccc(-c2cc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)CCCCC4)cc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
The InChIKey is SRIIMLMIMHIQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-4-15-38(16-5-1)47-35-48(52-49(51-47)40-17-6-2-7-18-40)39-26-30-44(31-27-39)50(32-10-3-11-33-50)43-28-24-36(25-29-43)41-20-12-21-42(34-41)46-23-13-19-37-14-8-9-22-45(37)46/h1-2,4-9,12-31,34-35H,3,10-11,32-33H2.
What are the key properties of 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine?
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine has a molecular weight of 668.88 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 121315578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).