N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine

C80H64N4 — CID 90268451

IUPACN-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(/C(=C(\c4ccccc4)c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C80H64N4/c1-79(2)69-39-23-25-41-73(69)83(63-35-19-9-20-36-63)75-53-51-67(55-71(75)79)81(61-31-15-7-16-32-61)65-47-43-59(44-48-65)77(57-27-11-5-12-28-57)78(58-29-13-6-14-30-58)60-45-49-66(50-46-60)82(62-33-17-8-18-34-62)68-52-54-76-72(56-68)80(3,4)70-40-24-26-42-74(70)84(76)64-37-21-10-22-38-64/h5-56H,1-4H3/b78-77+
InChIKeyOFRFXYCYWTXRNP-JKNXPUSASA-N
MW1081.42 g/mol
LogP21.85
Rot. Bonds12

About N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine

N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine (PubChem CID 90268451) has the molecular formula C80H64N4 and a molecular weight of 1081.42 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
PubChem CID90268451
Molecular FormulaC80H64N4
Molecular Weight1081.42 g/mol
Exact Mass1080.51
IUPAC NameN-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(/C(=C(\c4ccccc4)c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C80H64N4/c1-79(2)69-39-23-25-41-73(69)83(63-35-19-9-20-36-63)75-53-51-67(55-71(75)79)81(61-31-15-7-16-32-61)65-47-43-59(44-48-65)77(57-27-11-5-12-28-57)78(58-29-13-6-14-30-58)60-45-49-66(50-46-60)82(62-33-17-8-18-34-62)68-52-54-76-72(56-68)80(3,4)70-40-24-26-42-74(70)84(76)64-37-21-10-22-38-64/h5-56H,1-4H3/b78-77+
InChIKeyOFRFXYCYWTXRNP-JKNXPUSASA-N
XLogP21.85
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.42
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine with MolForge

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Related Compounds

7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
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-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
10,10-dimethyl-N,N,14-triphenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-21,9'-fluorene]-18-amine
CID 166844469
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
4-N-[4-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]phenyl]-2-ethyl-1-N-methyl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 123562575
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine (CID 90268451) is N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(/C(=C(\c4ccccc4)c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc4)c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine?
The InChIKey is OFRFXYCYWTXRNP-JKNXPUSASA-N. The full InChI is InChI=1S/C80H64N4/c1-79(2)69-39-23-25-41-73(69)83(63-35-19-9-20-36-63)75-53-51-67(55-71(75)79)81(61-31-15-7-16-32-61)65-47-43-59(44-48-65)77(57-27-11-5-12-28-57)78(58-29-13-6-14-30-58)60-45-49-66(50-46-60)82(62-33-17-8-18-34-62)68-52-54-76-72(56-68)80(3,4)70-40-24-26-42-74(70)84(76)64-37-21-10-22-38-64/h5-56H,1-4H3/b78-77+.
What are the key properties of N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine?
N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine has a molecular weight of 1081.42 g/mol, XLogP of 21.85, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine is sourced from PubChem (CID 90268451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).