N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

C64H46N2 — CID 155240335

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)54-28-14-12-26-50(54)52-38-35-47(41-58(52)63)65(62-40-45(43-20-6-3-7-21-43)34-37-49(62)44-22-8-4-9-23-44)48-36-39-53-51-27-13-15-29-55(51)64(59(53)42-48)56-30-16-18-32-60(56)66(46-24-10-5-11-25-46)61-33-19-17-31-57(61)64/h3-42H,1-2H3
InChIKeyCOGXNDKPPHEUNM-UHFFFAOYSA-N
MW843.09 g/mol
LogP16.94
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 155240335) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID155240335
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21
InChIInChI=1S/C64H46N2/c1-63(2)54-28-14-12-26-50(54)52-38-35-47(41-58(52)63)65(62-40-45(43-20-6-3-7-21-43)34-37-49(62)44-22-8-4-9-23-44)48-36-39-53-51-27-13-15-29-55(51)64(59(53)42-48)56-30-16-18-32-60(56)66(46-24-10-5-11-25-46)61-33-19-17-31-57(61)64/h3-42H,1-2H3
InChIKeyCOGXNDKPPHEUNM-UHFFFAOYSA-N
XLogP16.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
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
10-phenyl-N-(3-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166635
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(9,9-dimethylfluoren-4-yl)-10-phenyl-N-[2-(3-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166608
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240509
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 155240335) is N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)c3cc(-c4ccccc4)ccc3-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is COGXNDKPPHEUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)54-28-14-12-26-50(54)52-38-35-47(41-58(52)63)65(62-40-45(43-20-6-3-7-21-43)34-37-49(62)44-22-8-4-9-23-44)48-36-39-53-51-27-13-15-29-55(51)64(59(53)42-48)56-30-16-18-32-60(56)66(46-24-10-5-11-25-46)61-33-19-17-31-57(61)64/h3-42H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 843.09 g/mol, XLogP of 16.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 155240335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).