4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine

C51H32N2O — CID 155054785

IUPAC4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H32N2O/c1-3-14-33(15-4-1)36-19-13-20-37(30-36)47-32-46(35-17-5-2-6-18-35)52-50(53-47)38-27-28-44-48(31-38)54-49-39-21-8-7-16-34(39)26-29-45(49)51(44)42-24-11-9-22-40(42)41-23-10-12-25-43(41)51/h1-32H
InChIKeyRGTGJSWEQHYNHE-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

About 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine

4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine (PubChem CID 155054785) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
PubChem CID155054785
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)n3)c2)cc1
InChIInChI=1S/C51H32N2O/c1-3-14-33(15-4-1)36-19-13-20-37(30-36)47-32-46(35-17-5-2-6-18-35)52-50(53-47)38-27-28-44-48(31-38)54-49-39-21-8-7-16-34(39)26-29-45(49)51(44)42-24-11-9-22-40(42)41-23-10-12-25-43(41)51/h1-32H
InChIKeyRGTGJSWEQHYNHE-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-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054872
4-phenyl-2-(4-phenylphenyl)-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidine
CID 139306382
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947301
4-phenanthren-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 130379891
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
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-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-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The IUPAC name of 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine (CID 155054785) is 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine.
What is the SMILES notation for 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The canonical SMILES for 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccc5c(c4)Oc4c(ccc6ccccc46)C54c5ccccc5-c5ccccc54)n3)c2)cc1.
What is the InChIKey of 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The InChIKey is RGTGJSWEQHYNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-14-33(15-4-1)36-19-13-20-37(30-36)47-32-46(35-17-5-2-6-18-35)52-50(53-47)38-27-28-44-48(31-38)54-49-39-21-8-7-16-34(39)26-29-45(49)51(44)42-24-11-9-22-40(42)41-23-10-12-25-43(41)51/h1-32H.
What are the key properties of 4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine 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-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine is sourced from PubChem (CID 155054785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).