4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

C51H32N2O — CID 171602380

IUPAC4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)44-27-11-9-22-38(44)39-30-29-34(31-45(39)51)46-32-47(43-26-14-24-41-40-23-10-12-28-48(40)54-49(41)43)53-50(52-46)42-25-13-16-33-15-7-8-21-37(33)42/h1-32H
InChIKeyAQMJNZLDDSTZDP-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.89
Rot. Bonds5

About 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine

4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (PubChem CID 171602380) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
PubChem CID171602380
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C51H32N2O/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)44-27-11-9-22-38(44)39-30-29-34(31-45(39)51)46-32-47(43-26-14-24-41-40-23-10-12-28-48(40)54-49(41)43)53-50(52-46)42-25-13-16-33-15-7-8-21-37(33)42/h1-32H
InChIKeyAQMJNZLDDSTZDP-UHFFFAOYSA-N
XLogP12.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-dibenzofuran-4-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171601901
4-(3-dibenzofuran-3-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171603325
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603443
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373
4-dibenzofuran-4-yl-2-phenyl-6-(5,9,9-triphenylfluoren-2-yl)pyrimidine
CID 171601946
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
4-(4-dibenzofuran-4-ylphenyl)-6-(9-methyl-9-phenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602158
4-[3-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-dibenzofuran-4-yl-2-phenylpyrimidine
CID 171603841
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine (CID 171602380) is 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6ccccc56)n4)cc32)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
The InChIKey is AQMJNZLDDSTZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)44-27-11-9-22-38(44)39-30-29-34(31-45(39)51)46-32-47(43-26-14-24-41-40-23-10-12-28-48(40)54-49(41)43)53-50(52-46)42-25-13-16-33-15-7-8-21-37(33)42/h1-32H.
What are the key properties of 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine?
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine has a molecular weight of 688.83 g/mol, XLogP of 12.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 171602380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).