4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine

C50H31N3O — CID 167177922

IUPAC4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5ccccn5)ccc3C43c4ccccc4-c4ccccc43)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C50H31N3O/c1-2-13-33(14-3-1)49-52-45(35-22-21-32-12-4-5-15-34(32)28-35)31-46(53-49)37-24-26-43-48(30-37)54-47-29-36(44-20-10-11-27-51-44)23-25-42(47)50(43)40-18-8-6-16-38(40)39-17-7-9-19-41(39)50/h1-31H
InChIKeyLLOBLCLZJDKISN-UHFFFAOYSA-N
MW689.82 g/mol
LogP12.16
Rot. Bonds4

About 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine

4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine (PubChem CID 167177922) has the molecular formula C50H31N3O and a molecular weight of 689.82 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
PubChem CID167177922
Molecular FormulaC50H31N3O
Molecular Weight689.82 g/mol
Exact Mass689.25
IUPAC Name4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5ccccn5)ccc3C43c4ccccc4-c4ccccc43)cc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C50H31N3O/c1-2-13-33(14-3-1)49-52-45(35-22-21-32-12-4-5-15-34(32)28-35)31-46(53-49)37-24-26-43-48(30-37)54-47-29-36(44-20-10-11-27-51-44)23-25-42(47)50(43)40-18-8-6-16-38(40)39-17-7-9-19-41(39)50/h1-31H
InChIKeyLLOBLCLZJDKISN-UHFFFAOYSA-N
XLogP12.16
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[4-[6'-(4-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 167178462
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
8-[7'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3'-yl]quinoline
CID 167178042
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
4,6-bis(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-naphthalen-2-yl-6-phenyl-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(3-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine;4-phenyl-6-(4-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 159580359
4,6-diphenyl-2-[4-[7-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]pyrimidine
CID 167177967
4,6-diphenyl-2-[3-[6-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]phenyl]pyrimidine
CID 167178504
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine (CID 167177922) is 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)Oc3cc(-c5ccccn5)ccc3C43c4ccccc4-c4ccccc43)cc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine?
The InChIKey is LLOBLCLZJDKISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O/c1-2-13-33(14-3-1)49-52-45(35-22-21-32-12-4-5-15-34(32)28-35)31-46(53-49)37-24-26-43-48(30-37)54-47-29-36(44-20-10-11-27-51-44)23-25-42(47)50(43)40-18-8-6-16-38(40)39-17-7-9-19-41(39)50/h1-31H.
What are the key properties of 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine?
4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine has a molecular weight of 689.82 g/mol, XLogP of 12.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-phenyl-6-(6'-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-3'-yl)pyrimidine is sourced from PubChem (CID 167177922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).