N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine

C51H39N3O — CID 156564255

IUPACN-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3Nc4ccccc4C(c4cccc5oc6c7ccccc7ccc6c45)N3)cc21
InChIInChI=1S/C51H39N3O/c1-51(2)43-20-10-8-17-38(43)39-30-28-36(31-44(39)51)54(35-26-23-33(24-27-35)32-13-4-3-5-14-32)50-52-45-21-11-9-18-40(45)48(53-50)41-19-12-22-46-47(41)42-29-25-34-15-6-7-16-37(34)49(42)55-46/h3-31,48,50,52-53H,1-2H3
InChIKeyPWANLSBZGJMSQC-UHFFFAOYSA-N
MW709.89 g/mol
LogP12.94
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine

N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine (PubChem CID 156564255) has the molecular formula C51H39N3O and a molecular weight of 709.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine
PubChem CID156564255
Molecular FormulaC51H39N3O
Molecular Weight709.89 g/mol
Exact Mass709.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3Nc4ccccc4C(c4cccc5oc6c7ccccc7ccc6c45)N3)cc21
InChIInChI=1S/C51H39N3O/c1-51(2)43-20-10-8-17-38(43)39-30-28-36(31-44(39)51)54(35-26-23-33(24-27-35)32-13-4-3-5-14-32)50-52-45-21-11-9-18-40(45)48(53-50)41-19-12-22-46-47(41)42-29-25-34-15-6-7-16-37(34)49(42)55-46/h3-31,48,50,52-53H,1-2H3
InChIKeyPWANLSBZGJMSQC-UHFFFAOYSA-N
XLogP12.94
TPSA40.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 512.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939628
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166938984
N-(9,9-dimethylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 169285279
N-(9,9-dimethylfluoren-2-yl)-2-naphtho[1,2-b][1]benzofuran-9-yl-N-(4-phenylphenyl)triphenylen-1-amine
CID 177294664
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-4-phenylphenyl]fluoren-2-amine
CID 139551318
N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 166028540
9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-1-amine
CID 166938674
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170272231
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine;N-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 159844294

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine (CID 156564255) is N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)C3Nc4ccccc4C(c4cccc5oc6c7ccccc7ccc6c45)N3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine?
The InChIKey is PWANLSBZGJMSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3O/c1-51(2)43-20-10-8-17-38(43)39-30-28-36(31-44(39)51)54(35-26-23-33(24-27-35)32-13-4-3-5-14-32)50-52-45-21-11-9-18-40(45)48(53-50)41-19-12-22-46-47(41)42-29-25-34-15-6-7-16-37(34)49(42)55-46/h3-31,48,50,52-53H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine?
N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine has a molecular weight of 709.89 g/mol, XLogP of 12.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-1,2,3,4-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 156564255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).