4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine

C51H32N2O — CID 130379318

IUPAC4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-44-48(31-36)54-47-26-14-13-25-43(47)51(44)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H
InChIKeyUHQJGDKITLQMHT-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

About 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine

4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine (PubChem CID 130379318) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
PubChem CID130379318
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-44-48(31-36)54-47-26-14-13-25-43(47)51(44)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H
InChIKeyUHQJGDKITLQMHT-UHFFFAOYSA-N
XLogP12.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
CID 137388304
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 130379641
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
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
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166737937
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
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
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine (CID 130379318) is 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is UHQJGDKITLQMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-44-48(31-36)54-47-26-14-13-25-43(47)51(44)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H.
What are the key properties of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine?
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine has a molecular weight of 688.83 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 130379318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).