10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol

C81H68N8O4 — CID 135257326

IUPAC10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol
SMILESCC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2N(NNN2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(N(c4ccccc4)c4ccc(O)cc4)ccc32)c2ccc(N3c4ccc(O)cc4C(C)(C)c4cc(O)ccc43)cc21
InChIInChI=1S/C81H68N8O4/c1-79(2)63-26-16-18-28-69(63)86(70-29-19-17-27-64(70)79)56-32-40-73-65(46-56)80(3,4)66-47-57(87-71-44-38-61(91)50-67(71)81(5,6)68-51-62(92)39-45-72(68)87)33-41-74(66)88(73)82-83-89-75-42-34-58(84(52-20-10-7-11-21-52)53-22-12-8-13-23-53)48-77(75)93-78-49-59(35-43-76(78)89)85(54-24-14-9-15-25-54)55-30-36-60(90)37-31-55/h7-51,82-83,90-92H,1-6H3
InChIKeyNUBJZSKCHUCEPW-UHFFFAOYSA-N
MW1217.49 g/mol
LogP20.61
Rot. Bonds11

About 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol

10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol (PubChem CID 135257326) has the molecular formula C81H68N8O4 and a molecular weight of 1217.49 g/mol. Its IUPAC name is 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol.

Molecular Properties

Compound Name10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol
PubChem CID135257326
Molecular FormulaC81H68N8O4
Molecular Weight1217.49 g/mol
Exact Mass1216.54
IUPAC Name10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol
SMILESCC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2N(NNN2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(N(c4ccccc4)c4ccc(O)cc4)ccc32)c2ccc(N3c4ccc(O)cc4C(C)(C)c4cc(O)ccc43)cc21
InChIInChI=1S/C81H68N8O4/c1-79(2)63-26-16-18-28-69(63)86(70-29-19-17-27-64(70)79)56-32-40-73-65(46-56)80(3,4)66-47-57(87-71-44-38-61(91)50-67(71)81(5,6)68-51-62(92)39-45-72(68)87)33-41-74(66)88(73)82-83-89-75-42-34-58(84(52-20-10-7-11-21-52)53-22-12-8-13-23-53)48-77(75)93-78-49-59(35-43-76(78)89)85(54-24-14-9-15-25-54)55-30-36-60(90)37-31-55/h7-51,82-83,90-92H,1-6H3
InChIKeyNUBJZSKCHUCEPW-UHFFFAOYSA-N
XLogP20.61
TPSA113.42 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001217.49
LogP ≤ 520.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol with MolForge

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Related Compounds

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
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
4-(N-[10-amino-7-(N-phenylanilino)phenoxazin-3-yl]anilino)phenol
CID 130352999
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061389
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 89457920

Frequently Asked Questions

What is the IUPAC name of 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol?
The IUPAC name of 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol (CID 135257326) is 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol.
What is the SMILES notation for 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol?
The canonical SMILES for 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol is CC1(C)c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc2N(NNN2c3ccc(N(c4ccccc4)c4ccccc4)cc3Oc3cc(N(c4ccccc4)c4ccc(O)cc4)ccc32)c2ccc(N3c4ccc(O)cc4C(C)(C)c4cc(O)ccc43)cc21.
What is the InChIKey of 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol?
The InChIKey is NUBJZSKCHUCEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N8O4/c1-79(2)63-26-16-18-28-69(63)86(70-29-19-17-27-64(70)79)56-32-40-73-65(46-56)80(3,4)66-47-57(87-71-44-38-61(91)50-67(71)81(5,6)68-51-62(92)39-45-72(68)87)33-41-74(66)88(73)82-83-89-75-42-34-58(84(52-20-10-7-11-21-52)53-22-12-8-13-23-53)48-77(75)93-78-49-59(35-43-76(78)89)85(54-24-14-9-15-25-54)55-30-36-60(90)37-31-55/h7-51,82-83,90-92H,1-6H3.
What are the key properties of 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol?
10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol has a molecular weight of 1217.49 g/mol, XLogP of 20.61, 11 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-(9,9-dimethylacridin-10-yl)-10-[2-[3-(N-(4-hydroxyphenyl)anilino)-7-(N-phenylanilino)phenoxazin-10-yl]hydrazinyl]-9,9-dimethylacridin-2-yl]-9,9-dimethylacridine-2,7-diol is sourced from PubChem (CID 135257326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).