N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C75H50N2 — CID 143268865

IUPACN-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5(c6cc(-c7ccc8ccccc8c7)ccc6-c6ccc(-c7ccc8ccccc8c7)cc65)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C75H50N2/c1-3-15-51(16-4-1)55-31-37-63(38-32-55)76(64-39-33-56(34-40-64)52-17-5-2-6-18-52)65-41-43-66(44-42-65)77-73-25-13-11-23-69(73)75(70-24-12-14-26-74(70)77)71-49-61(59-29-27-53-19-7-9-21-57(53)47-59)35-45-67(71)68-46-36-62(50-72(68)75)60-30-28-54-20-8-10-22-58(54)48-60/h1-50H
InChIKeyYITYCFGHNFPJMU-UHFFFAOYSA-N
MW979.24 g/mol
LogP20.28
Rot. Bonds8

About N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 143268865) has the molecular formula C75H50N2 and a molecular weight of 979.24 g/mol. Its IUPAC name is N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID143268865
Molecular FormulaC75H50N2
Molecular Weight979.24 g/mol
Exact Mass978.40
IUPAC NameN-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5(c6cc(-c7ccc8ccccc8c7)ccc6-c6ccc(-c7ccc8ccccc8c7)cc65)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C75H50N2/c1-3-15-51(16-4-1)55-31-37-63(38-32-55)76(64-39-33-56(34-40-64)52-17-5-2-6-18-52)65-41-43-66(44-42-65)77-73-25-13-11-23-69(73)75(70-24-12-14-26-74(70)77)71-49-61(59-29-27-53-19-7-9-21-57(53)47-59)35-45-67(71)68-46-36-62(50-72(68)75)60-30-28-54-20-8-10-22-58(54)48-60/h1-50H
InChIKeyYITYCFGHNFPJMU-UHFFFAOYSA-N
XLogP20.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.24
LogP ≤ 520.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-naphthalen-2-yl-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166670
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-2'-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[acridine-9,11'-benzo[b]fluorene]
CID 134304722
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N,14-diphenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-11-amine
CID 130462491

Frequently Asked Questions

What is the IUPAC name of N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 143268865) is N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N4c5ccccc5C5(c6cc(-c7ccc8ccccc8c7)ccc6-c6ccc(-c7ccc8ccccc8c7)cc65)c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YITYCFGHNFPJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2/c1-3-15-51(16-4-1)55-31-37-63(38-32-55)76(64-39-33-56(34-40-64)52-17-5-2-6-18-52)65-41-43-66(44-42-65)77-73-25-13-11-23-69(73)75(70-24-12-14-26-74(70)77)71-49-61(59-29-27-53-19-7-9-21-57(53)47-59)35-45-67(71)68-46-36-62(50-72(68)75)60-30-28-54-20-8-10-22-58(54)48-60/h1-50H.
What are the key properties of N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 979.24 g/mol, XLogP of 20.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 143268865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).