N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine

C64H44N2O — CID 146511438

IUPACN-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cc5ccccc5c5c4oc4ccccc45)c4ccccc43)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C64H44N2O/c1-43-18-5-13-29-57(43)65(58-32-17-21-46-19-6-8-24-51(46)58)49-38-34-44(35-39-49)45-36-40-50(41-37-45)66-59-30-14-11-27-54(59)64(48-22-3-2-4-23-48,55-28-12-15-31-60(55)66)56-42-47-20-7-9-25-52(47)62-53-26-10-16-33-61(53)67-63(56)62/h2-42H,1H3
InChIKeyPUSKCLXDKMOQGG-UHFFFAOYSA-N
MW857.07 g/mol
LogP17.50
Rot. Bonds7

About N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine

N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 146511438) has the molecular formula C64H44N2O and a molecular weight of 857.07 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID146511438
Molecular FormulaC64H44N2O
Molecular Weight857.07 g/mol
Exact Mass856.35
IUPAC NameN-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cc5ccccc5c5c4oc4ccccc45)c4ccccc43)cc2)cc1)c1cccc2ccccc12
InChIInChI=1S/C64H44N2O/c1-43-18-5-13-29-57(43)65(58-32-17-21-46-19-6-8-24-51(46)58)49-38-34-44(35-39-49)45-36-40-50(41-37-45)66-59-30-14-11-27-54(59)64(48-22-3-2-4-23-48,55-28-12-15-31-60(55)66)56-42-47-20-7-9-25-52(47)62-53-26-10-16-33-61(53)67-63(56)62/h2-42H,1H3
InChIKeyPUSKCLXDKMOQGG-UHFFFAOYSA-N
XLogP17.50
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[9-[4-(N-dibenzofuran-4-ylanilino)phenyl]-10-phenylacridin-9-yl]phenyl]-N-phenyldibenzofuran-4-amine;4-(9,10-diphenylacridin-9-yl)-N-[4-(9,10-diphenylacridin-9-yl)phenyl]-N-phenylaniline
CID 161331273
N-naphthalen-1-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022316
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridine
CID 161068023
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
9-dibenzofuran-4-yl-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(3-methyl-4-phenylphenyl)acridine
CID 146510967
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166630
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 160984403
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 157340492
N-dibenzofuran-4-yl-10-phenyl-N-[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine;9-N',15-N'-di(dibenzofuran-4-yl)-10-phenyl-9-N',15-N'-bis[4-(trifluoromethyl)phenyl]spiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine;N-(6-methyldibenzofuran-4-yl)-N-(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 164963753
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-amine
CID 170676804
9-N',15-N'-bis(6-methyldibenzofuran-4-yl)-9-N',15-N'-bis(4-methylphenyl)-10-phenylspiro[acridine-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137416165

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine (CID 146511438) is N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine is Cc1ccccc1N(c1ccc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cc5ccccc5c5c4oc4ccccc45)c4ccccc43)cc2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is PUSKCLXDKMOQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2O/c1-43-18-5-13-29-57(43)65(58-32-17-21-46-19-6-8-24-51(46)58)49-38-34-44(35-39-49)45-36-40-50(41-37-45)66-59-30-14-11-27-54(59)64(48-22-3-2-4-23-48,55-28-12-15-31-60(55)66)56-42-47-20-7-9-25-52(47)62-53-26-10-16-33-61(53)67-63(56)62/h2-42H,1H3.
What are the key properties of N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine?
N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 857.07 g/mol, XLogP of 17.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[4-[4-(9-naphtho[2,1-b][1]benzofuran-6-yl-9-phenylacridin-10-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 146511438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).