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

C56H41N3O — CID 146369062

IUPACN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(C)C)nc4ccccc34)cc21
InChIInChI=1S/C56H41N3O/c1-55(2)45-22-10-6-17-42(45)51-46(55)23-14-25-49(51)59(36-30-27-34(28-31-36)37-19-13-20-41-40-16-8-12-26-50(40)60-53(37)41)54-57-48-24-11-7-18-43(48)52(58-54)35-29-32-39-38-15-5-9-21-44(38)56(3,4)47(39)33-35/h5-33H,1-4H3
InChIKeyBCIDEVNWGLREAT-UHFFFAOYSA-N
MW771.96 g/mol
LogP14.95
Rot. Bonds5

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

N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine (PubChem CID 146369062) has the molecular formula C56H41N3O and a molecular weight of 771.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
PubChem CID146369062
Molecular FormulaC56H41N3O
Molecular Weight771.96 g/mol
Exact Mass771.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(C)C)nc4ccccc34)cc21
InChIInChI=1S/C56H41N3O/c1-55(2)45-22-10-6-17-42(45)51-46(55)23-14-25-49(51)59(36-30-27-34(28-31-36)37-19-13-20-41-40-16-8-12-26-50(40)60-53(37)41)54-57-48-24-11-7-18-43(48)52(58-54)35-29-32-39-38-15-5-9-21-44(38)56(3,4)47(39)33-35/h5-33H,1-4H3
InChIKeyBCIDEVNWGLREAT-UHFFFAOYSA-N
XLogP14.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.96
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
CID 142427071
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)-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-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139499277
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]fluoren-2-amine
CID 169060883
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-3-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 146270984
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-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine (CID 146369062) is N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine is CC1(C)c2ccccc2-c2ccc(-c3nc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc5c4-c4ccccc4C5(C)C)nc4ccccc34)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine?
The InChIKey is BCIDEVNWGLREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3O/c1-55(2)45-22-10-6-17-42(45)51-46(55)23-14-25-49(51)59(36-30-27-34(28-31-36)37-19-13-20-41-40-16-8-12-26-50(40)60-53(37)41)54-57-48-24-11-7-18-43(48)52(58-54)35-29-32-39-38-15-5-9-21-44(38)56(3,4)47(39)33-35/h5-33H,1-4H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine has a molecular weight of 771.96 g/mol, XLogP of 14.95, 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)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine is sourced from PubChem (CID 146369062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).