4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine

C55H36N2O — CID 176795030

IUPAC4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C55H36N2O/c1-55(2)46-18-10-17-43(52(46)44-29-35-14-6-7-15-36(35)31-47(44)55)49-32-48(56-54(57-49)34-12-4-3-5-13-34)41-22-21-37-27-38(19-20-39(37)28-41)40-24-25-50-45(30-40)53-42-16-9-8-11-33(42)23-26-51(53)58-50/h3-32H,1-2H3
InChIKeyKYEJKEUXUVHMRB-UHFFFAOYSA-N
MW740.91 g/mol
LogP14.81
Rot. Bonds4

About 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine (PubChem CID 176795030) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine
PubChem CID176795030
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC Name4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc5c4)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C55H36N2O/c1-55(2)46-18-10-17-43(52(46)44-29-35-14-6-7-15-36(35)31-47(44)55)49-32-48(56-54(57-49)34-12-4-3-5-13-34)41-22-21-37-27-38(19-20-39(37)28-41)40-24-25-50-45(30-40)53-42-16-9-8-11-33(42)23-26-51(53)58-50/h3-32H,1-2H3
InChIKeyKYEJKEUXUVHMRB-UHFFFAOYSA-N
XLogP14.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176795349
4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-6-(2-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176794603
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenylpyrimidine
CID 176793675
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-2-yl)-2-phenylpyrimidine
CID 176793586
4-(4-dibenzofuran-2-ylphenyl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794760
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-naphtho[2,3-b][1]benzofuran-2-yl-2-phenylpyrimidine
CID 176794397
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-(6-triphenylen-2-ylnaphthalen-2-yl)pyrimidine
CID 176794659
2,4-bis(9,9-dimethylfluoren-2-yl)-6-[3-[3-(6-naphtho[2,1-b][1]benzofuran-10-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine
CID 154613803
4-dibenzofuran-2-yl-6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 176794241
4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794281
4-[4-(3-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176793234
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]pyrimidine
CID 176793263

Frequently Asked Questions

What is the IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine?
The IUPAC name of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine (CID 176795030) is 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine?
The canonical SMILES for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc5cc(-c6ccc7oc8ccc9ccccc9c8c7c6)ccc5c4)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine?
The InChIKey is KYEJKEUXUVHMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-55(2)46-18-10-17-43(52(46)44-29-35-14-6-7-15-36(35)31-47(44)55)49-32-48(56-54(57-49)34-12-4-3-5-13-34)41-22-21-37-27-38(19-20-39(37)28-41)40-24-25-50-45(30-40)53-42-16-9-8-11-33(42)23-26-51(53)58-50/h3-32H,1-2H3.
What are the key properties of 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine?
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine has a molecular weight of 740.91 g/mol, XLogP of 14.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)-2-phenylpyrimidine is sourced from PubChem (CID 176795030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).