10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine

C59H41N3 — CID 59513181

IUPAC10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3ccccc3N(c3cccc4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C59H41N3/c1-5-22-43(23-6-1)60(44-24-7-2-8-25-44)47-36-38-50-51-39-37-48(61(45-26-9-3-10-27-45)46-28-11-4-12-29-46)41-55(51)59(54(50)40-47)52-31-15-17-33-57(52)62(58-34-18-16-32-53(58)59)56-35-19-21-42-20-13-14-30-49(42)56/h1-41H
InChIKeyXIIJBLNKTQLPJI-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.93
Rot. Bonds7

About 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine

10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine (PubChem CID 59513181) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine.

Molecular Properties

Compound Name10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine
PubChem CID59513181
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3ccccc3N(c3cccc4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C59H41N3/c1-5-22-43(23-6-1)60(44-24-7-2-8-25-44)47-36-38-50-51-39-37-48(61(45-26-9-3-10-27-45)46-28-11-4-12-29-46)41-55(51)59(54(50)40-47)52-31-15-17-33-57(52)62(58-34-18-16-32-53(58)59)56-35-19-21-42-20-13-14-30-49(42)56/h1-41H
InChIKeyXIIJBLNKTQLPJI-UHFFFAOYSA-N
XLogP15.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
CID 118371912
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240509
N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166724
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 129133908
N-(4-naphthalen-1-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166717
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine?
The IUPAC name of 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine (CID 59513181) is 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine.
What is the SMILES notation for 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine?
The canonical SMILES for 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4cc(N(c5ccccc5)c5ccccc5)ccc4-3)c3ccccc3N(c3cccc4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine?
The InChIKey is XIIJBLNKTQLPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-5-22-43(23-6-1)60(44-24-7-2-8-25-44)47-36-38-50-51-39-37-48(61(45-26-9-3-10-27-45)46-28-11-4-12-29-46)41-55(51)59(54(50)40-47)52-31-15-17-33-57(52)62(58-34-18-16-32-53(58)59)56-35-19-21-42-20-13-14-30-49(42)56/h1-41H.
What are the key properties of 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine?
10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine has a molecular weight of 792.00 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine is sourced from PubChem (CID 59513181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).