2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine

C65H45FN4 — CID 145277067

IUPAC2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESC=C(C)C1(F)c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2C2=CC(c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)=CCC21C
InChIInChI=1S/C65H45FN4/c1-40(2)65(66)56-33-32-45(62-67-58(51-28-12-20-41-16-4-8-24-47(41)51)38-59(68-62)52-29-13-21-42-17-5-9-25-48(42)52)36-55(56)57-37-46(34-35-64(57,65)3)63-69-60(53-30-14-22-43-18-6-10-26-49(43)53)39-61(70-63)54-31-15-23-44-19-7-11-27-50(44)54/h4-34,36-39H,1,35H2,2-3H3
InChIKeyGWFOBTIGLIUAPD-UHFFFAOYSA-N
MW901.10 g/mol
LogP16.85
Rot. Bonds7

About 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine

2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine (PubChem CID 145277067) has the molecular formula C65H45FN4 and a molecular weight of 901.10 g/mol. Its IUPAC name is 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
PubChem CID145277067
Molecular FormulaC65H45FN4
Molecular Weight901.10 g/mol
Exact Mass900.36
IUPAC Name2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine
SMILESC=C(C)C1(F)c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2C2=CC(c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)=CCC21C
InChIInChI=1S/C65H45FN4/c1-40(2)65(66)56-33-32-45(62-67-58(51-28-12-20-41-16-4-8-24-47(41)51)38-59(68-62)52-29-13-21-42-17-5-9-25-48(42)52)36-55(56)57-37-46(34-35-64(57,65)3)63-69-60(53-30-14-22-43-18-6-10-26-49(43)53)39-61(70-63)54-31-15-23-44-19-7-11-27-50(44)54/h4-34,36-39H,1,35H2,2-3H3
InChIKeyGWFOBTIGLIUAPD-UHFFFAOYSA-N
XLogP16.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.10
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Amino-6-naphthalen-1-yl-pyrimidin-4-yl)-6-naphthalen-1-yl-pyrimidin-2-amine
CID 340795
4-(2-Amino-6-naphthalen-2-yl-pyrimidin-4-yl)-6-naphthalen-2-yl-pyrimidin-2-amine
CID 340797
2-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine
CID 57468863
2,4-Dinaphthalen-1-ylquinazoline
CID 139229549
7,18-Bis[2-(trifluoromethyl)phenyl]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 51032140
7,18-Bis(2,6-difluorophenyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 51032294
2,7-Bis[2-(4-t-butylphenyl)pyrimidin-5-yl]-9,9'-spirobifluorene
CID 69617487
4-(Naphthalen-2-yl)-2,6-diphenylpyrimidine
CID 71273254
4,6-Dimethyl-2-naphthalen-1-ylpyrimidine
CID 123358554
4,4'-[9,10-Anthracenediylbis(4-phenyl-6,2-quinazolinediyl)]dianiline
CID 3106717
4-[[2-Octyl-5-(2,4,4-trimethylpentan-2-yl)phenyl]methyl]-2-(trifluoromethyl)quinazoline
CID 20670696
4-(1,2-Dihydroacenaphthylen-5-yl)-6-(2-fluoropropan-2-yl)pyrimidin-2-amine
CID 21846287

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The IUPAC name of 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine (CID 145277067) is 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine is C=C(C)C1(F)c2ccc(-c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)cc2C2=CC(c3nc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)n3)=CCC21C.
What is the InChIKey of 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine?
The InChIKey is GWFOBTIGLIUAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45FN4/c1-40(2)65(66)56-33-32-45(62-67-58(51-28-12-20-41-16-4-8-24-47(41)51)38-59(68-62)52-29-13-21-42-17-5-9-25-48(42)52)36-55(56)57-37-46(34-35-64(57,65)3)63-69-60(53-30-14-22-43-18-6-10-26-49(43)53)39-61(70-63)54-31-15-23-44-19-7-11-27-50(44)54/h4-34,36-39H,1,35H2,2-3H3.
What are the key properties of 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine?
2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine has a molecular weight of 901.10 g/mol, XLogP of 16.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9-fluoro-8a-methyl-9-prop-1-en-2-yl-8H-fluoren-3-yl]-4,6-dinaphthalen-1-ylpyrimidine is sourced from PubChem (CID 145277067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).