2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine

C138H108N6 — CID 159060876

IUPAC2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C46H36N2/c1-4-14-34(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)37-19-12-18-36(30-37)32-24-26-33(27-25-32)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-14-33(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)34-26-24-32(25-27-34)36-18-12-19-37(30-36)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-13-35(14-5-1)42-31-43(48-45(47-42)37-15-6-2-7-16-37)36-27-23-33(24-28-36)32-21-25-34(26-22-32)38-18-12-20-41-44(38)39-17-8-9-19-40(39)46(41)29-10-3-11-30-46/h2*1-2,4-9,12-27,30-31H,3,10-11,28-29H2;1-2,4-9,12-28,31H,3,10-11,29-30H2
InChIKeyJYLKBCRBIMYTTO-UHFFFAOYSA-N
MW1850.42 g/mol
LogP36.13
Rot. Bonds15

About 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine

2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine (PubChem CID 159060876) has the molecular formula C138H108N6 and a molecular weight of 1850.42 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
PubChem CID159060876
Molecular FormulaC138H108N6
Molecular Weight1850.42 g/mol
Exact Mass1848.86
IUPAC Name2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/3C46H36N2/c1-4-14-34(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)37-19-12-18-36(30-37)32-24-26-33(27-25-32)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-14-33(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)34-26-24-32(25-27-34)36-18-12-19-37(30-36)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-13-35(14-5-1)42-31-43(48-45(47-42)37-15-6-2-7-16-37)36-27-23-33(24-28-36)32-21-25-34(26-22-32)38-18-12-20-41-44(38)39-17-8-9-19-40(39)46(41)29-10-3-11-30-46/h2*1-2,4-9,12-27,30-31H,3,10-11,28-29H2;1-2,4-9,12-28,31H,3,10-11,29-30H2
InChIKeyJYLKBCRBIMYTTO-UHFFFAOYSA-N
XLogP36.13
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001850.42
LogP ≤ 536.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine with MolForge

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159255528
5'-[4-[3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440676
2-phenyl-4-(4-phenylphenyl)-6-[4-(4-spiro[benzo[b]fluorene-11,1'-cyclohexane]-4-ylphenyl)phenyl]pyrimidine
CID 176793436
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-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158284037
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
CID 166901869
CID 166901869
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine (CID 159060876) is 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc(-c5cccc6c5-c5ccccc5C65CCCCC5)cc4)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine?
The InChIKey is JYLKBCRBIMYTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H36N2/c1-4-14-34(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)37-19-12-18-36(30-37)32-24-26-33(27-25-32)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-14-33(15-5-1)42-31-43(48-45(47-42)35-16-6-2-7-17-35)34-26-24-32(25-27-34)36-18-12-19-37(30-36)38-21-13-23-41-44(38)39-20-8-9-22-40(39)46(41)28-10-3-11-29-46;1-4-13-35(14-5-1)42-31-43(48-45(47-42)37-15-6-2-7-16-37)36-27-23-33(24-28-36)32-21-25-34(26-22-32)38-18-12-20-41-44(38)39-17-8-9-19-40(39)46(41)29-10-3-11-30-46/h2*1-2,4-9,12-27,30-31H,3,10-11,28-29H2;1-2,4-9,12-28,31H,3,10-11,29-30H2.
What are the key properties of 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine?
2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine has a molecular weight of 1850.42 g/mol, XLogP of 36.13, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 159060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).