N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine

C57H39N3O — CID 156564501

IUPACN-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4cc6ccccc6cc45)c4ccccc4n3)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)49-23-13-11-21-44(49)45-30-29-43(35-50(45)57)60(42-27-25-37(26-28-42)36-15-5-3-6-16-36)56-58-51-24-14-12-22-46(51)55(59-56)41-32-47(38-17-7-4-8-18-38)54-48-31-39-19-9-10-20-40(39)33-52(48)61-53(54)34-41/h3-35H,1-2H3
InChIKeyIVLDSBJCXTWYFO-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.46
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine

N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine (PubChem CID 156564501) has the molecular formula C57H39N3O and a molecular weight of 781.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine
PubChem CID156564501
Molecular FormulaC57H39N3O
Molecular Weight781.96 g/mol
Exact Mass781.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4cc6ccccc6cc45)c4ccccc4n3)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)49-23-13-11-21-44(49)45-30-29-43(35-50(45)57)60(42-27-25-37(26-28-42)36-15-5-3-6-16-36)56-58-51-24-14-12-22-46(51)55(59-56)41-32-47(38-17-7-4-8-18-38)54-48-31-39-19-9-10-20-40(39)33-52(48)61-53(54)34-41/h3-35H,1-2H3
InChIKeyIVLDSBJCXTWYFO-UHFFFAOYSA-N
XLogP15.46
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine 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

9,9-dimethyl-N-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylquinazolin-2-yl)phenyl]-N-phenylfluoren-2-amine
CID 166511482
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24,26-tridecaen-8-amine
CID 147619926
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine;4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 159086512
7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-7-N,19-N-bis(4-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303315
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170674899
N-(9,9-dimethylfluoren-2-yl)-7-naphthalen-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171752123
N-(9,9-dimethylfluoren-2-yl)-15-phenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-amine
CID 171050118
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(2-phenyldibenzofuran-3-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-[4-(2-phenyldibenzofuran-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline;4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 161039193
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(9,9'-spirobi[fluorene]-1-yl)quinazolin-2-amine
CID 142427238
9,9-dimethyl-N-phenyl-N-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 166974866
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)quinazolin-2-amine
CID 146369062

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine (CID 156564501) is N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4cc6ccccc6cc45)c4ccccc4n3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The InChIKey is IVLDSBJCXTWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O/c1-57(2)49-23-13-11-21-44(49)45-30-29-43(35-50(45)57)60(42-27-25-37(26-28-42)36-15-5-3-6-16-36)56-58-51-24-14-12-22-46(51)55(59-56)41-32-47(38-17-7-4-8-18-38)54-48-31-39-19-9-10-20-40(39)33-52(48)61-53(54)34-41/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine has a molecular weight of 781.96 g/mol, XLogP of 15.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-N-(4-phenylphenyl)quinazolin-2-amine is sourced from PubChem (CID 156564501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).