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

C40H32N2 — CID 161402725

IUPAC4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43CCCCC3)n2)cc1
InChIInChI=1S/C40H32N2/c1-4-14-28(15-5-1)37-27-38(29-16-6-2-7-17-29)42-39(41-37)33-20-9-8-18-31(33)30-22-23-36-34(26-30)32-19-10-11-21-35(32)40(36)24-12-3-13-25-40/h1-2,4-11,14-23,26-27H,3,12-13,24-25H2
InChIKeyVQYCNDFIWOBQNI-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.38
Rot. Bonds4

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

4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine (PubChem CID 161402725) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
PubChem CID161402725
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC Name4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43CCCCC3)n2)cc1
InChIInChI=1S/C40H32N2/c1-4-14-28(15-5-1)37-27-38(29-16-6-2-7-17-29)42-39(41-37)33-20-9-8-18-31(33)30-22-23-36-34(26-30)32-19-10-11-21-35(32)40(36)24-12-3-13-25-40/h1-2,4-11,14-23,26-27H,3,12-13,24-25H2
InChIKeyVQYCNDFIWOBQNI-UHFFFAOYSA-N
XLogP10.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
2-[3-(2-methyl-5-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 174327618
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-diphenyl-6-[3-(2-phenyl-4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 174327344
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine (CID 161402725) is 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)-c3ccccc3C43CCCCC3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine?
The InChIKey is VQYCNDFIWOBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-4-14-28(15-5-1)37-27-38(29-16-6-2-7-17-29)42-39(41-37)33-20-9-8-18-31(33)30-22-23-36-34(26-30)32-19-10-11-21-35(32)40(36)24-12-3-13-25-40/h1-2,4-11,14-23,26-27H,3,12-13,24-25H2.
What are the key properties of 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine?
4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine has a molecular weight of 540.71 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 161402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).