N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine

C67H46N2 — CID 155240457

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-36-40-56(41-37-50)68(57-42-38-51(39-43-57)54-45-52(48-22-7-2-8-23-48)44-53(46-54)49-24-9-3-10-25-49)65-35-19-32-62-66(65)58-28-13-14-29-59(58)67(62)60-30-15-17-33-63(60)69(55-26-11-4-12-27-55)64-34-18-16-31-61(64)67/h1-46H
InChIKeyWEUOMRVMXNMYMY-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.97
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine

N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine (PubChem CID 155240457) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
PubChem CID155240457
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-36-40-56(41-37-50)68(57-42-38-51(39-43-57)54-45-52(48-22-7-2-8-23-48)44-53(46-54)49-24-9-3-10-25-49)65-35-19-32-62-66(65)58-28-13-14-29-59(58)67(62)60-30-15-17-33-63(60)69(55-26-11-4-12-27-55)64-34-18-16-31-61(64)67/h1-46H
InChIKeyWEUOMRVMXNMYMY-UHFFFAOYSA-N
XLogP17.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168804
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168816
N,10-diphenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166793
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240030
N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240907
N,10-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168805
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(9,9-diphenylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166771
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[4-[3-[4'-[4-(3,5-diphenylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)anilino]spiro[acridine-9,9'-fluorene]-10-yl]phenyl]phenyl]-5-phenylphenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 155240389

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine (CID 155240457) is N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
The InChIKey is WEUOMRVMXNMYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-36-40-56(41-37-50)68(57-42-38-51(39-43-57)54-45-52(48-22-7-2-8-23-48)44-53(46-54)49-24-9-3-10-25-49)65-35-19-32-62-66(65)58-28-13-14-29-59(58)67(62)60-30-15-17-33-63(60)69(55-26-11-4-12-27-55)64-34-18-16-31-61(64)67/h1-46H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine?
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine has a molecular weight of 879.12 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine is sourced from PubChem (CID 155240457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).