N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline

C57H42N2 — CID 153463084

IUPACN-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C2(c3ccccc3)c3ccccc3N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H42N2/c1-56(50-27-13-11-25-48(50)49-26-12-14-28-51(49)56)57(43-21-7-3-8-22-43)52-29-15-17-31-54(52)59(55-32-18-16-30-53(55)57)47-39-37-46(38-40-47)58(44-23-9-4-10-24-44)45-35-33-42(34-36-45)41-19-5-2-6-20-41/h2-40H,1H3
InChIKeyVSPYKMYGJFEVJL-UHFFFAOYSA-N
MW754.98 g/mol
LogP14.93
Rot. Bonds7

About N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline

N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline (PubChem CID 153463084) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline
PubChem CID153463084
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline
SMILESCC1(C2(c3ccccc3)c3ccccc3N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H42N2/c1-56(50-27-13-11-25-48(50)49-26-12-14-28-51(49)56)57(43-21-7-3-8-22-43)52-29-15-17-31-54(52)59(55-32-18-16-30-53(55)57)47-39-37-46(38-40-47)58(44-23-9-4-10-24-44)45-35-33-42(34-36-45)41-19-5-2-6-20-41/h2-40H,1H3
InChIKeyVSPYKMYGJFEVJL-UHFFFAOYSA-N
XLogP14.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N,14-diphenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine;14-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 159691989
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]-N,N-bis[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]aniline
CID 22960197
9-ethyl-9-phenyl-10-(4-phenylphenyl)acridine
CID 71004140

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline (CID 153463084) is N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline is CC1(C2(c3ccccc3)c3ccccc3N(c3ccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc3)c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is VSPYKMYGJFEVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-56(50-27-13-11-25-48(50)49-26-12-14-28-51(49)56)57(43-21-7-3-8-22-43)52-29-15-17-31-54(52)59(55-32-18-16-30-53(55)57)47-39-37-46(38-40-47)58(44-23-9-4-10-24-44)45-35-33-42(34-36-45)41-19-5-2-6-20-41/h2-40H,1H3.
What are the key properties of N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline?
N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 754.98 g/mol, XLogP of 14.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(9-methylfluoren-9-yl)-9-phenylacridin-10-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 153463084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).