9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole

C61H39N3O — CID 146183278

IUPAC9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc32)cc1
InChIInChI=1S/C61H39N3O/c1-3-17-44(18-4-1)61(45-19-5-2-6-20-45)51-25-11-8-23-49(51)59-50(24-15-26-52(59)61)54-39-53(40-30-32-41(33-31-40)58-38-43-16-7-14-29-57(43)65-58)62-60(63-54)42-34-36-46(37-35-42)64-55-27-12-9-21-47(55)48-22-10-13-28-56(48)64/h1-39H
InChIKeyAXDGMYBONJOISU-UHFFFAOYSA-N
MW830.00 g/mol
LogP15.35
Rot. Bonds7

About 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole

9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole (PubChem CID 146183278) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole
PubChem CID146183278
Molecular FormulaC61H39N3O
Molecular Weight830.00 g/mol
Exact Mass829.31
IUPAC Name9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc32)cc1
InChIInChI=1S/C61H39N3O/c1-3-17-44(18-4-1)61(45-19-5-2-6-20-45)51-25-11-8-23-49(51)59-50(24-15-26-52(59)61)54-39-53(40-30-32-41(33-31-40)58-38-43-16-7-14-29-57(43)65-58)62-60(63-54)42-34-36-46(37-35-42)64-55-27-12-9-21-47(55)48-22-10-13-28-56(48)64/h1-39H
InChIKeyAXDGMYBONJOISU-UHFFFAOYSA-N
XLogP15.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole 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

9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
3-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146183694
9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138574944
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
9-[4-[4-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257276
9-[3-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole;9-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidin-2-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 159047884
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
9-[3-carbazol-9-yl-5-[4-[2-[4-[7-[6-[4-(3-carbazol-9-ylphenyl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9,9-diphenylfluoren-4-yl]phenyl]-6-(9,9-diphenylfluoren-2-yl)pyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237278
4-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603313
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-4-yl)-2-naphthalen-1-ylpyrimidine
CID 171603684
4-(4-dibenzofuran-4-ylphenyl)-6-[2-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602182

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole (CID 146183278) is 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4cc(-c5ccc(-c6cc7ccccc7o6)cc5)nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)cccc32)cc1.
What is the InChIKey of 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is AXDGMYBONJOISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-3-17-44(18-4-1)61(45-19-5-2-6-20-45)51-25-11-8-23-49(51)59-50(24-15-26-52(59)61)54-39-53(40-30-32-41(33-31-40)58-38-43-16-7-14-29-57(43)65-58)62-60(63-54)42-34-36-46(37-35-42)64-55-27-12-9-21-47(55)48-22-10-13-28-56(48)64/h1-39H.
What are the key properties of 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole?
9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 830.00 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 146183278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).