N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

C58H41NO2 — CID 138582046

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64C5=CCCC=C5c5ccccc54)cc3)ccc21
InChIInChI=1S/C58H41NO2/c1-57(2)45-21-10-6-19-42(45)44-35-37(29-32-46(44)57)36-27-30-39(31-28-36)59(38-15-4-3-5-16-38)51-25-14-26-52-55(51)60-53-34-33-50-54(56(53)61-52)43-20-9-13-24-49(43)58(50)47-22-11-7-17-40(47)41-18-8-12-23-48(41)58/h3-7,9-11,13-35H,8,12H2,1-2H3
InChIKeyMIZTXTDZUYMYMN-UHFFFAOYSA-N
MW783.97 g/mol
LogP15.46
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine (PubChem CID 138582046) has the molecular formula C58H41NO2 and a molecular weight of 783.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
PubChem CID138582046
Molecular FormulaC58H41NO2
Molecular Weight783.97 g/mol
Exact Mass783.31
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64C5=CCCC=C5c5ccccc54)cc3)ccc21
InChIInChI=1S/C58H41NO2/c1-57(2)45-21-10-6-19-42(45)44-35-37(29-32-46(44)57)36-27-30-39(31-28-36)59(38-15-4-3-5-16-38)51-25-14-26-52-55(51)60-53-34-33-50-54(56(53)61-52)43-20-9-13-24-49(43)58(50)47-22-11-7-17-40(47)41-18-8-12-23-48(41)58/h3-7,9-11,13-35H,8,12H2,1-2H3
InChIKeyMIZTXTDZUYMYMN-UHFFFAOYSA-N
XLogP15.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.97
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582173
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,9'-xanthene]-4-amine
CID 167177926
N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-ylaniline
CID 138582355
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582113
N-methyl-N-(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138581462
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170143670
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine (CID 138582046) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccccc4)c4cccc5c4Oc4ccc6c(c4O5)-c4ccccc4C64C5=CCCC=C5c5ccccc54)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
The InChIKey is MIZTXTDZUYMYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO2/c1-57(2)45-21-10-6-19-42(45)44-35-37(29-32-46(44)57)36-27-30-39(31-28-36)59(38-15-4-3-5-16-38)51-25-14-26-52-55(51)60-53-34-33-50-54(56(53)61-52)43-20-9-13-24-49(43)58(50)47-22-11-7-17-40(47)41-18-8-12-23-48(41)58/h3-7,9-11,13-35H,8,12H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine has a molecular weight of 783.97 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine is sourced from PubChem (CID 138582046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).