N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine

C47H33N3O — CID 142427071

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)c4ccccc4n3)cccc21
InChIInChI=1S/C47H33N3O/c1-47(2)38-21-9-6-17-36(38)43-39(47)22-13-24-41(43)50(46-48-40-23-10-7-18-37(40)44(49-46)31-14-4-3-5-15-31)32-28-26-30(27-29-32)33-19-12-20-35-34-16-8-11-25-42(34)51-45(33)35/h3-29H,1-2H3
InChIKeyQQNICBCMXPZOHC-UHFFFAOYSA-N
MW655.80 g/mol
LogP12.64
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine (PubChem CID 142427071) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
PubChem CID142427071
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)c4ccccc4n3)cccc21
InChIInChI=1S/C47H33N3O/c1-47(2)38-21-9-6-17-36(38)43-39(47)22-13-24-41(43)50(46-48-40-23-10-7-18-37(40)44(49-46)31-14-4-3-5-15-31)32-28-26-30(27-29-32)33-19-12-20-35-34-16-8-11-25-42(34)51-45(33)35/h3-29H,1-2H3
InChIKeyQQNICBCMXPZOHC-UHFFFAOYSA-N
XLogP12.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-phenylquinazolin-4-amine
CID 142427124
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-2-phenylquinazolin-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-2-phenylquinazolin-4-amine;N-(9,9-dimethylfluoren-4-yl)-2-phenyl-N-(4-phenylphenyl)quinazolin-4-amine
CID 161477247
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90277947
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139499277
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine (CID 142427071) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3nc(-c4ccccc4)c4ccccc4n3)cccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine?
The InChIKey is QQNICBCMXPZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O/c1-47(2)38-21-9-6-17-36(38)43-39(47)22-13-24-41(43)50(46-48-40-23-10-7-18-37(40)44(49-46)31-14-4-3-5-15-31)32-28-26-30(27-29-32)33-19-12-20-35-34-16-8-11-25-42(34)51-45(33)35/h3-29H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine has a molecular weight of 655.80 g/mol, XLogP of 12.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 142427071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).